data_2d8r_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 2d8r _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.608 ' ND2' ' H ' ' A' ' 12' ' ' CYS . 8.9 t-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.831 0.348 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.608 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 20.1 t -104.38 135.37 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' CB ' ' NH2' ' A' ' 48' ' ' ARG . . . -69.18 -37.21 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.98 157.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.43 145.06 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.98 29.11 73.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -103.71 158.53 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.94 51.61 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.9 m -115.8 139.21 50.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.22 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.0 t80 176.9 87.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 28' ' ' SER . 6.7 mt -62.51 144.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.94 139.2 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.558 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 40.7 p90 -88.68 108.81 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -115.05 105.18 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 9.1 m-85 -78.61 154.29 78.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.83 135.82 31.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -11.25 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -83.37 144.57 46.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 110.836 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.76 -36.14 11.36 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -59.18 -45.18 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.19 -49.16 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 3.2 ttm180 -37.16 -56.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -62.9 -39.32 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -58.51 -57.92 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 11.3 m0 -47.24 -46.81 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 77.1 t -71.87 -34.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.488 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 8.0 mt -93.76 -44.7 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 5.4 p -54.19 -16.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.06 74.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.411 ' NH2' ' CB ' ' A' ' 13' ' ' ALA . 12.1 mtm180 -151.0 73.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 48.76 -170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -85.33 25.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -52.94 162.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -134.81 145.38 54.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.57 -31.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.97 144.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 62.2 16.5 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -92.96 101.8 14.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -144.36 160.96 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 27.7 mt -129.43 144.42 51.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -71.76 154.5 41.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -75.17 4.64 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -86.22 -26.73 24.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 42.5 m-70 -83.07 -11.67 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 57.2 m-85 -101.8 147.23 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -66.08 -5.21 9.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.69 -48.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -15.82 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 2.53 30.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' HD21 ' A' ' 78' ' ' LEU . 7.1 m-85 -85.87 -176.54 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.6 t70 -103.24 59.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 76' ' ' ARG . 12.0 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.432 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 ttp180 -168.79 83.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mtt180 -106.19 126.63 52.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -53.03 113.83 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 26.4 mtpp -60.97 135.73 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.7 mtm -64.87 -6.59 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.75 20.18 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.14 170.96 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.31 151.63 16.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.618 0.723 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.5 Cg_endo -69.79 92.2 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.3 p -68.37 -10.75 57.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -131.65 -170.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.06 134.48 36.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.33 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 140.37 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.58 -10.6 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.47 63.87 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -155.1 -68.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.72 36.06 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 137.66 47.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.5 -75.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.31 148.12 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -40.63 143.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.29 144.07 25.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 22.1 p90 -96.85 111.7 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 94.5 m-70 -116.18 98.07 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.88 176.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 53' ' ' PRO . 4.5 m-85 -69.89 156.49 91.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.82 140.06 41.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.457 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -72.92 -14.39 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.22 147.9 54.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.88 2.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -46.96 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 55.4 mmt-85 -83.49 -49.66 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.58 -54.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -61.32 -34.88 75.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' VAL . 8.7 mm-40 -68.41 -63.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 13.4 m95 -38.8 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.9 t -89.49 -39.36 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -68.2 -37.2 80.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 2.9 mt -66.76 -56.31 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.73 -16.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 42.52 78.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.7 mmm180 -112.57 -11.36 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 61.13 128.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' LYS . 36.2 t30 36.93 56.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -138.06 151.51 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -163.47 144.47 7.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 111.124 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.83 175.78 7.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.17 35.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 1.1 ttpt -169.24 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -123.55 -5.79 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.521 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -37.59 122.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -148.15 166.23 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.59 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.7 mt -132.31 140.2 48.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.81 155.62 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -87.32 -15.42 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 1.3 ptmm? -57.07 -39.09 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 50.2 m-70 -67.91 -43.75 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 32.8 m-85 -60.71 165.68 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 2.9 mm-40 -87.77 -13.45 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.428 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . . . 77.48 -9.46 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.4 0.96 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.13 -0.49 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.1 m-85 -81.8 179.19 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -119.3 102.21 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 104.51 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' ASP . 20.4 mtt180 -118.33 125.45 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.561 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -68.69 120.68 15.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' N ' HD11 ' A' ' 78' ' ' LEU . 22.3 mtpp -71.22 127.22 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -15.06 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.71 9.41 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -101.61 156.17 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -141.57 151.04 59.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.131 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.81 77.01 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.5 p -88.13 42.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 2.9 mp -139.69 -73.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.6 136.92 49.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . . . -82.4 -29.95 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.59 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -42.64 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.26 -45.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 6.0 t -77.83 156.92 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.76 115.95 10.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.85 135.04 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -128.07 171.18 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' THR . 31.9 t80 -35.82 -53.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.773 0.321 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 HD12 ' CD ' ' A' ' 62' ' ' LYS . 8.7 mt -53.99 134.51 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.33 131.19 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 42.8 p90 -80.3 103.99 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 97.5 m-70 -106.17 99.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.76 171.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CE1' HG22 ' A' ' 57' ' ' THR . 10.7 m-85 -64.43 154.25 84.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.73 145.16 56.49 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -17.94 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.09 145.41 60.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.05 17.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -42.03 96.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 30.1 mmt180 -88.89 -47.85 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.4 -49.07 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -70.3 -38.63 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -60.46 -57.88 10.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 16.5 m95 -47.02 -45.34 21.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.85 -25.13 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -82.76 -20.75 35.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -90.81 -24.91 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.26 -10.76 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 39.07 74.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HB3' ' CD2' ' A' ' 51' ' ' PHE . 2.3 mtp85 -117.85 30.51 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.08 -155.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.18 52.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -99.5 150.06 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -128.29 144.37 51.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 111.138 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.3 Cg_endo -69.78 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 -85.03 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 5.7 ttpt -139.24 146.47 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.536 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER 74.6 -1.09 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.495 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.79 113.15 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -142.42 166.52 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 10.1 mt -132.39 139.63 48.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 16.0 m -66.91 138.05 57.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.4 p -66.38 -30.98 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.458 ' CD ' HD12 ' A' ' 27' ' ' ILE . 2.6 mtpt -44.02 -45.8 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 42.2 m-70 -60.27 -39.95 88.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 26.5 m-85 -66.04 167.12 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -83.96 -14.77 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 78.51 -11.5 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -0.05 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.413 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.93 -2.37 29.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.3 m-85 -79.91 179.38 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -125.8 84.18 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.731 0.301 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.08 98.0 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASP . 52.4 mtt-85 -106.35 126.95 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.95 123.51 23.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' HD12 ' A' ' 78' ' ' LEU . 33.3 mttm -67.08 123.52 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.8 mtm -53.26 -16.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.04 22.35 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB1' ' CD1' ' A' ' 78' ' ' LEU . . . -110.82 141.51 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.515 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -126.26 151.88 72.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 111.153 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.7 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -79.76 10.07 4.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.26 126.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 11' ' ' ASN . 19.4 t -100.52 134.4 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.69 -18.79 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.96 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.04 -89.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.97 87.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.4 t -142.3 154.27 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.46 48.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -115.38 114.62 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -163.14 -51.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -139.68 97.18 3.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.331 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 26.7 mt -44.61 149.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 p -98.38 176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 23.8 p90 -125.31 106.67 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 95.6 m-70 -105.69 96.82 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -53.78 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.91 154.74 86.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 140.49 42.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -9.86 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 147.89 47.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -38.53 7.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -57.95 -47.63 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.6 mmt180 -82.17 -47.51 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 ttt180 -39.8 -52.44 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.69 -30.3 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' ARG . 3.9 mm-40 -69.71 -62.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.528 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 16.3 m95 -43.28 -31.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 51' ' ' PHE . 42.5 t -88.76 -34.12 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -73.79 -21.23 60.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -85.05 -54.49 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 2.8 p -54.04 -15.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 35.3 77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 7.5 mmm180 -123.64 30.16 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 78.56 -153.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 3.1 t-20 -76.35 54.36 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.465 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -98.78 139.14 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.04 146.22 60.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.67 17.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.92 -76.82 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -81.79 60.77 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 106.32 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -139.1 161.9 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 9.1 mt -132.99 141.0 48.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 15.0 m -64.12 144.01 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -26.35 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -38.06 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.1 m-70 -68.17 -37.79 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.8 m-85 -68.88 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -83.71 -14.78 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 78.6 -11.69 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 t -80.93 0.11 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.04 0.72 38.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.3 m-85 -82.3 179.9 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -103.66 99.84 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -56.87 102.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.1 mtt180 -126.45 128.96 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.559 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -62.0 111.84 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 12.9 mtpp -56.7 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mtm -64.82 -6.63 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.76 20.26 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.83 151.37 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.528 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -135.74 151.25 73.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.714 . . . . 0.0 111.114 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 90.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -73.44 2.85 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -127.43 150.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 86' ' ' ILE . 1.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -86.86 116.98 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.94 -41.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.19 129.23 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.11 -131.17 3.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 5.4 t 56.16 162.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.64 73.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.65 133.44 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.2 -90.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -124.98 -61.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.17 139.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 m -82.72 168.07 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 9.6 m-85 -118.25 107.07 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 75.7 m-70 -110.7 104.22 12.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.58 177.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.12 155.13 93.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.8 143.82 51.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -78.88 -15.47 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.92 145.56 57.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.95 22.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.19 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.1 mmt180 -86.57 -46.87 9.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -39.56 -53.77 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -65.8 -27.05 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -72.18 -63.83 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.561 ' CD1' HG11 ' A' ' 83' ' ' VAL . 12.4 m95 -39.83 -45.26 1.75 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.16 -33.97 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -78.87 -19.99 50.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -53.67 -21.86 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 65.74 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -147.97 -39.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tttm 67.14 -72.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 58.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -153.93 162.58 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.535 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -160.67 145.54 10.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.107 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.59 -76.01 1.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.601 ' CG ' ' CE1' ' A' ' 56' ' ' HIS . 5.4 ptmt -164.96 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -89.75 -1.73 58.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.6 m -84.6 129.57 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -145.34 172.18 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 7.3 mt -130.41 133.41 46.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 12.7 m -60.26 155.36 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p -90.22 -16.54 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -56.77 -39.93 74.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 50.6 m-70 -66.25 -48.69 69.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -49.78 170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 42.1 mt-10 -91.28 -14.14 31.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 76.76 -8.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.23 0.63 35.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.62 -5.13 24.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.653 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.1 m-85 -79.76 164.75 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -95.89 80.9 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' CG ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 76' ' ' ARG . 9.0 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.801 0.334 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.46 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mtm180 -116.85 110.07 17.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.99 129.34 55.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.653 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -68.46 117.23 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 3.3 mttm -51.33 127.36 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -7.51 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.24 12.84 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -92.61 157.89 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -144.25 150.65 49.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.183 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 92.63 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 p -89.75 51.23 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.32 -93.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 8.0 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' CYS . 11.3 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ASN . 48.6 t -35.96 121.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -25.13 68.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 100.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.17 109.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.73 34.47 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.0 t -144.13 -76.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 68.22 76.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.27 131.42 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -116.04 -84.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -125.16 140.94 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 mt -47.5 140.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -101.86 143.73 31.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 51.4 p90 -86.3 112.58 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 77.0 m-70 -112.42 95.4 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -53.61 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -79.74 153.42 75.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.7 0.762 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.85 148.71 65.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -82.52 -9.71 59.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -86.04 145.21 40.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.2 Cg_endo -69.81 -31.01 21.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -64.88 -42.33 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' GLU . 1.6 mmp_? -87.68 -49.19 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.5 ttt180 -38.54 -50.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -65.42 -35.23 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -65.9 -62.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 19.5 m95 -40.14 -36.94 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.43 -32.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -72.87 -20.51 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 5.0 mt -88.26 -52.72 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.98 -20.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 63.82 68.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -138.64 95.49 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 144.16 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.61 31.51 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.45 138.22 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.53 144.46 53.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.63 63.09 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.51 -97.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -123.18 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 11.5 m-70 79.19 -54.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.7 OUTLIER -36.67 116.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -144.86 170.03 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 18.3 mt -131.82 144.26 50.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.5 m -67.55 151.91 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 5.3 p -84.79 -18.33 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -56.44 -39.4 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.422 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 45.1 m-70 -64.75 -47.84 76.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -54.05 165.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -83.97 -14.79 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 78.56 -11.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -0.05 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.91 -4.53 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.592 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.8 m-85 -79.48 166.75 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.4 t0 -97.57 87.97 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.755 0.312 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -66.83 97.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.6 mtt-85 -113.44 130.1 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.1 tm? -62.43 119.57 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' CYS . 13.9 mttt -55.68 119.36 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mtm -52.77 -17.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -100.11 22.05 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.22 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.564 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -132.44 152.19 79.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.3 Cg_endo -69.79 69.97 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.9 p -82.12 41.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 mt -139.94 -81.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -81.19 119.89 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.76 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 124.49 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 127.9 33.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.75 60.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 46.6 t -111.32 116.2 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.74 76.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.63 132.68 36.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.8 p -149.93 -89.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -58.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . 1.3 mt -34.39 149.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -86.42 173.08 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 11.7 p90 -125.14 107.79 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -114.61 105.1 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.1 155.19 74.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.733 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.78 137.69 35.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.78 -16.42 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.65 143.95 68.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -33.97 15.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.1 -43.47 98.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' ARG . 61.7 mmt-85 -87.56 -49.62 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 2.4 ttm180 -36.72 -53.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 4.8 mmmm -65.89 -39.99 91.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -53.52 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.556 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 11.2 m95 -52.27 -43.41 64.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 22.3 t -76.19 -28.4 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -79.17 -23.76 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.9 mt -87.39 -40.8 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.0 p -70.3 -17.95 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 36.55 85.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -145.78 92.02 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt 47.37 32.67 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 39.9 30.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -54.03 -173.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.602 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -139.13 145.74 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 111.171 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.16 44.55 3.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' THR . 1.2 mttt -178.32 -173.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -40.42 -28.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.536 HG22 ' CE2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -36.05 121.89 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -146.64 171.44 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.3 mt -134.63 137.71 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 m -55.62 163.15 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -9.62 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -71.01 -41.42 70.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -56.89 -31.45 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.7 m-85 -93.68 160.12 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.56 -165.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.19 -25.54 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -1.88 36.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -100.46 -6.64 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CE1' HD21 ' A' ' 78' ' ' LEU . 74.9 m-85 -108.81 178.94 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -123.77 85.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.786 0.327 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' N ' ' OG1' ' A' ' 75' ' ' THR . 5.9 mtm180 -103.39 117.62 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ASP . 19.4 mtt180 -129.33 126.65 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 0.9 OUTLIER -68.47 112.67 5.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 11.9 mtpp -55.88 139.21 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -10.65 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.88 25.43 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.76 133.23 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.59 151.57 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 53.9 Cg_endo -69.73 91.14 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.0 p -88.57 -11.52 45.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mt -90.17 -67.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 84' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.5 129.4 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 51' ' ' PHE . . . -67.71 -31.88 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -35.98 138.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.83 108.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.35 72.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 t -148.77 -64.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 63.13 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 83.39 6.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 p -43.18 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.18 134.44 53.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -79.1 139.78 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -80.36 177.22 9.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 18.7 p90 -127.3 108.38 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 86.3 m-70 -114.62 97.12 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 6.6 m-85 -67.91 156.89 88.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.73 139.81 41.25 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -73.82 -11.59 60.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.33 146.23 44.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 0.0 110.891 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -56.4 -43.4 79.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -85.27 -50.08 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.69 -51.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -64.41 -39.71 94.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.2 mm-40 -60.05 -59.43 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 12.4 m95 -44.76 -54.41 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.39 -23.68 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -90.6 -20.12 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.7 mt -88.55 -41.4 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 1.3 p -61.61 -29.97 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.72 85.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -143.67 155.71 44.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -96.71 125.9 41.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 48.95 36.66 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -100.99 155.92 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -176.43 144.64 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.547 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.7 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.294 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.59 -39.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 3.4 tttp -169.91 125.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 1.8 m170 77.66 -0.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.557 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -83.56 115.46 22.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -147.3 163.97 34.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 11.7 mt -127.07 137.25 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.2 m -55.71 167.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.0 p -96.68 -17.41 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -61.73 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -64.21 -60.38 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.78 150.79 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -76.39 -97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.12 -38.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -10.49 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.03 -0.36 56.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.498 ' CE2' HD22 ' A' ' 78' ' ' LEU . 92.2 m-85 -114.17 -178.84 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.5 t70 -103.71 75.96 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.35 96.3 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 57.1 mtt180 -112.45 130.06 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -62.88 110.89 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 12.7 mtpp -49.7 130.85 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mtp -59.17 -11.9 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.43 28.79 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.85 139.56 43.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.3 151.13 58.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 88.46 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -91.37 19.7 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.79 -65.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t -49.03 108.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' CYS . . . -34.42 -43.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.3 143.53 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.24 -56.97 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.58 61.97 4.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.67 153.8 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.57 34.79 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -92.89 114.48 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 p -137.25 -70.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -96.73 -77.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.9 134.24 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -105.96 177.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 3.5 m-85 -119.2 105.45 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CD2' ' CB ' ' A' ' 78' ' ' LEU . 13.2 m80 -114.75 102.26 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.74 179.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.84 155.77 84.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.694 0.759 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.509 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.2 Cg_endo -69.76 151.73 69.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.44 -22.65 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -73.73 148.5 87.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.75 -39.55 6.4 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.58 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 11.5 mmp_? -85.74 -50.75 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 ttt-85 -37.25 -52.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 10.9 mtpt -66.8 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.7 OUTLIER -64.3 -61.55 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m95 -41.13 -34.68 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.91 -30.7 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.5 ttm-85 -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 2.4 mt -82.36 -49.6 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 2.6 p -50.6 -18.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 37.8 mtt180 77.25 40.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -105.73 -74.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER 77.15 -52.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.87 23.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.13 150.4 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.46 145.4 43.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.15 4.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 55' ' ' LYS . . . -116.97 53.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER 79.92 -53.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -80.3 44.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.77 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.1 150.38 34.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.7 mt -125.0 138.82 54.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.2 m -57.23 171.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -97.25 -24.43 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -38.03 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -56.88 -53.52 57.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 92.3 m-85 -70.21 129.49 39.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.54 -97.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.99 -39.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 p -59.7 -10.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -15.46 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.489 ' CE1' HD22 ' A' ' 78' ' ' LEU . 85.0 m-85 -106.62 157.73 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.25 102.7 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.99 125.66 23.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -128.86 128.7 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' CB ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -60.04 110.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -67.69 136.26 54.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 ptp -56.39 -24.27 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.07 20.72 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.67 131.93 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.517 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.77 151.59 60.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 86.64 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -78.42 8.11 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.72 151.62 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -46.14 129.01 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -69.15 -40.17 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -37.79 121.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 98.15 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.92 39.35 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 10.3 t -130.81 -72.8 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . 81.4 118.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -170.96 130.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -141.82 -89.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.3 159.8 35.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.41 142.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.8 p -78.98 -179.5 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 44.8 p90 -132.41 109.64 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -116.23 98.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.6 175.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 57' ' ' THR . 7.1 m-85 -68.12 156.11 90.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.79 140.46 42.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.64 -19.83 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -78.74 148.45 72.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.72 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -47.63 -42.93 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.4 mmt180 -86.73 -52.07 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -36.63 -56.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -62.56 -34.15 76.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.9 mt-10 -63.88 -59.4 4.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 12.8 m95 -46.42 -41.24 13.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.411 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 15.1 t -75.42 -31.56 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.54 -26.48 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 10.3 mt -85.49 -24.38 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 43' ' ' VAL . 9.0 p -96.64 -27.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 67.22 -72.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 35.56 33.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ARG . 17.6 mmtp 65.61 -152.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -76.91 51.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -89.0 159.95 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -149.65 146.38 20.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.424 ' N ' HG12 ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.74 85.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.84 -55.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -87.88 -169.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 83.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.555 HG23 ' CE1' ' A' ' 32' ' ' PHE . 5.9 m -126.64 126.38 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -144.28 172.42 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.29 135.62 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.3 m -58.26 163.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -5.77 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 2.0 ptmt -73.43 -30.74 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 90.2 m-70 -62.6 -52.54 62.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 74.7 m-85 -70.49 -178.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' CG ' ' CD1' ' A' ' 86' ' ' ILE . 1.4 mm-40 -108.08 -97.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.37 -41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.3 m -60.52 -10.49 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.4 m -91.03 0.0 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 78' ' ' LEU . 50.8 m-85 -113.28 -177.77 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.1 t0 -100.88 77.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.729 0.3 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.466 ' CG ' HD11 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -64.37 97.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 48.1 mtt-85 -116.64 128.89 55.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -59.59 111.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 15.5 mtpp -54.58 134.02 46.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -17.52 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -111.38 27.28 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.73 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.15 151.55 45.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 111.101 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.81 84.09 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.4 p -85.78 38.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.411 ' CD1' ' CG ' ' A' ' 65' ' ' GLU . 7.3 mt -150.43 -69.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.0 125.43 50.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 139.31 5.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.03 128.47 35.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.8 33.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.432 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -120.91 -68.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.95 82.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.43 135.36 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -141.44 -157.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -60.98 -32.78 72.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -37.03 143.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.48 157.37 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.533 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -103.08 110.89 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 91.5 m-70 -116.16 97.33 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -178.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.03 156.34 90.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 147.45 62.74 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -81.14 -9.82 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.67 40.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.91 17.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.67 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLU . 4.9 mmp_? -87.43 -50.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -36.51 -53.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -64.67 -37.52 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ARG . 8.0 mm-40 -63.43 -56.44 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 13.1 m95 -45.99 -47.52 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.95 -22.49 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -87.83 -22.31 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 5.4 mt -87.8 -15.79 35.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG21 ' CG ' ' A' ' 48' ' ' ARG . 7.6 p -97.49 -12.25 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.03 79.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.442 ' CG ' HG21 ' A' ' 46' ' ' VAL . 6.7 mmm180 -122.56 127.35 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -63.26 124.87 22.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 38.81 57.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 18.1 t80 -116.49 161.43 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.509 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -169.93 145.05 2.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.148 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.401 ' N ' HG11 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.77 155.12 66.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.6 -74.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.603 ' CE ' ' CE1' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -129.62 146.48 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.603 ' CE1' ' CE ' ' A' ' 55' ' ' LYS . 36.8 m80 51.99 18.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.62 103.34 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -146.29 154.35 41.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.04 145.25 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.65 171.8 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -95.09 -0.57 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 6.9 mmmm -77.14 -41.15 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -53.64 -51.79 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 68.6 m-85 -74.11 147.78 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.5 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.29 -42.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -19.71 31.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 m -83.96 -16.87 42.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 81.2 m-85 -99.85 -174.67 2.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -125.94 33.16 5.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' CD2' ' CG ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' CG ' ' CD2' ' A' ' 71' ' ' LEU . 6.4 mtp180 -57.05 144.23 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ASP . 11.4 mtt-85 -148.1 126.34 12.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -79.85 116.19 19.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -66.08 137.68 57.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 ptm -56.54 -20.72 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.413 ' OD1' ' NH1' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -100.57 24.68 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -112.7 131.81 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.578 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.97 151.75 58.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 81.33 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.0 p -85.65 20.35 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.83 -69.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.73 146.98 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.498 ' O ' ' NE ' ' A' ' 48' ' ' ARG . . . -94.77 -27.32 15.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 63' ' ' HIS . . . -51.38 155.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' NH1' ' A' ' 48' ' ' ARG . . . -99.35 141.53 32.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.81 21.42 79.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.6 t -114.79 -80.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.62 57.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -104.6 122.83 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.03 -66.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -119.64 127.05 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.541 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' ASN . 3.5 mt -34.76 148.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.22 154.51 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -97.49 105.88 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.9 m-70 -106.78 102.1 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 172.63 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.545 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 4.7 m-85 -77.27 156.17 81.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.512 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.82 127.1 14.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.273 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -5.38 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -88.16 143.99 33.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.842 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.77 29.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -66.4 -53.74 32.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 mtt85 -82.57 -40.54 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 27.9 ttp85 -36.73 -49.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -68.68 -36.06 78.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mm-40 -62.59 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.529 ' CD1' HG13 ' A' ' 83' ' ' VAL . 15.9 m95 -46.44 -33.02 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 51' ' ' PHE . 21.3 t -86.64 -31.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -76.13 -20.92 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 4.3 mt -83.14 -48.92 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 2.2 p -55.79 -24.19 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -4.67 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -42.18 159.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' PHE . 5.9 ttpp -62.45 77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' LYS . 29.7 m120 34.44 35.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.504 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.53 174.16 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.504 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -144.83 146.82 32.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.754 . . . . 0.0 111.096 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.431 ' N ' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.77 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.0 41.95 1.48 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 1.6 ttpt 179.2 -151.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -62.12 -11.1 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.545 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 94.8 m -44.01 114.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -146.41 148.97 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mt -113.74 133.29 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.92 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.2 p -101.93 -24.36 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.97 -25.1 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.519 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 96.0 m-70 -64.41 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 78' ' ' LEU . 21.9 m-85 -88.21 148.05 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 86' ' ' ILE . 2.1 mt-10 -60.95 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 -42.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.78 -10.74 50.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.73 -3.94 57.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -107.55 179.81 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -108.65 89.58 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 75' ' ' THR . 3.5 mtm180 -83.65 113.89 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ASP . 65.6 mtt-85 -126.05 134.6 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -60.91 115.74 3.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 1.4 mtpt -63.85 128.32 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 mtp -56.57 -13.72 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.462 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 35.9 t70 -105.61 32.75 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.36 158.68 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -136.62 151.25 72.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.177 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.56 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 54.1 Cg_endo -69.72 89.98 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.2 p -88.49 27.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -146.0 132.93 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 84' ' ' PRO . 20.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -103.89 128.46 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -53.73 -47.36 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -37.02 107.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.41 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.68 52.18 3.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -151.68 159.74 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.17 36.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -86.24 118.98 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -131.55 -72.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.35 96.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mt -42.88 133.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -76.79 154.36 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 49.4 p90 -102.77 113.24 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -110.7 103.56 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -59.32 169.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HG23 ' A' ' 57' ' ' THR . 4.0 m-85 -69.99 156.57 91.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 138.26 37.39 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -11.03 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 146.42 53.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -38.26 7.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.8 mmt180 -83.1 -50.74 8.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -37.89 -55.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -34.53 77.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -66.78 -59.8 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 12.5 m95 -44.1 -45.0 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -73.53 -34.43 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -72.74 -23.26 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.69 -51.17 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 14' ' ' ALA . 2.7 p -57.03 -33.3 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 49.32 69.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 7.3 mmm-85 -90.79 -57.16 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 167.01 74.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 38.42 39.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -94.42 175.93 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.587 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -148.86 147.15 23.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 111.133 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.06 25.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.71 37.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.69 -93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -134.92 1.31 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.553 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -40.32 123.69 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -140.36 166.2 25.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.1 mt -138.01 141.21 40.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.5 m -60.37 163.56 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.4 p -91.46 -5.49 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -76.0 -27.97 57.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -64.78 -45.29 86.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 45.8 m-85 -77.06 142.76 39.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.76 -97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.54 -36.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -9.61 33.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.4 m -88.97 -8.82 53.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.815 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.98 172.06 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -104.69 95.93 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.78 0.324 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.8 mtt180 -121.35 131.67 54.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -71.84 120.77 17.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 mtpp -74.12 135.55 42.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ptm -56.83 -22.34 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.78 15.49 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.96 133.18 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -119.11 151.64 50.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 111.173 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 77.65 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -80.84 44.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 87' ' ' PHE . 2.5 mp -139.42 -84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 86' ' ' ILE . 4.0 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.08 126.41 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.2 -24.79 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 103.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.59 -29.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.02 75.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.5 t -156.14 161.49 40.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.61 21.63 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.6 m -96.62 109.94 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -119.44 -53.36 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -154.7 -68.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.23 144.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -176.36 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 58' ' ' PHE . 18.6 m-85 -130.56 107.58 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 78' ' ' LEU . 98.2 m-70 -113.82 101.23 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -179.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HG21 ' A' ' 57' ' ' THR . 5.8 m-85 -75.21 153.79 86.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 135.89 31.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -69.5 -17.9 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.0 144.46 72.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.48 10.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -57.62 -45.86 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.89 -48.32 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.75 -56.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.98 -39.57 95.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -58.72 -61.51 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 13.2 m95 -40.96 -44.9 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.34 -28.29 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -78.51 -26.91 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.56 -46.72 14.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 p -57.27 -23.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.05 69.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -128.17 162.83 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 49' ' ' LYS . 5.6 mmpt? -59.05 -152.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -77.6 50.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.52 142.24 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 53' ' ' PRO . 1.1 t -127.4 145.63 55.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.84 -166.65 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.229 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.33 19.35 9.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -148.18 -156.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -14.22 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.553 HG21 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -43.88 114.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -139.51 160.39 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.411 HD13 ' CE3' ' A' ' 42' ' ' TRP . 11.0 mt -124.55 139.94 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.0 m -63.71 169.36 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -90.14 -33.02 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -42.78 -42.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -55.62 -56.55 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -68.55 160.62 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.74 -97.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.69 -40.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -12.09 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.99 1.04 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 78' ' ' LEU . 86.6 m-85 -119.3 -174.78 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.7 t70 -103.74 78.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.318 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 2.9 ttp180 -64.98 100.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.8 mtp180 -112.97 127.63 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -65.22 120.12 12.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 3.8 mtpt -71.43 137.32 48.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.7 mtm -60.63 -12.89 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.93 25.14 12.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.52 129.53 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.517 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -117.41 151.84 48.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.9 p -87.44 31.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.6 -79.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.87 131.7 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -59.31 -43.32 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -34.45 137.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.52 105.16 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.11 -5.42 23.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.8 t -86.2 147.14 26.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -115.35 109.25 17.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -144.59 -65.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -117.91 -65.65 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 28' ' ' SER . 1.9 mt -39.74 152.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -102.11 137.13 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.4 m-30 -85.09 108.13 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 94.5 m-70 -110.27 106.7 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -61.06 171.22 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 4.8 m-85 -64.33 156.2 77.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.503 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 141.63 45.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -75.6 -18.07 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -77.56 149.58 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.8 Cg_endo -69.79 -46.78 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -49.28 -50.43 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.3 mmt180 -79.1 -51.84 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -38.22 -49.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 9.0 mtpt -68.4 -37.77 80.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.42 -61.4 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.529 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 m95 -40.91 -47.95 3.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.2 t -68.51 -33.31 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -77.08 -21.94 53.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 7.3 mt -87.45 -47.46 8.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.87 -26.3 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.13 73.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.78 83.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.5 mttt 40.99 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.08 22.42 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -55.34 163.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.622 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -145.31 145.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.21 57.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 35.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -156.52 -92.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -5.66 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.415 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -38.83 116.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -137.07 164.0 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -136.81 139.32 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.6 m -62.37 -174.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -20.06 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -60.34 -21.99 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -77.56 -36.0 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.2 m-85 -98.78 136.26 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -62.72 -97.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.46 -40.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -8.44 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.45 -7.43 56.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 95.2 m-85 -110.94 -175.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' ARG . 1.1 t0 -117.56 93.38 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.734 0.302 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.38 110.93 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' ASP . 44.2 mtt180 -121.61 128.08 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.22 113.06 2.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.23 121.03 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.22 -18.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 35.99 2.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.2 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.519 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -124.88 151.95 69.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.654 0.74 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 89.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -79.56 3.0 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.8 122.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 1.3 p30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 15.0 t -34.73 141.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.12 -41.45 35.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.5 142.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.89 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.46 96.96 2.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -139.19 -61.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.65 78.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 m -155.37 121.88 5.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -108.96 -66.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ASN . 2.0 t80 -141.26 -41.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' TYR . 1.6 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.446 ' CD1' ' HD3' ' A' ' 62' ' ' LYS . 1.9 mt -38.17 143.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.79 165.43 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 6.3 m-85 -122.65 105.84 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 68.5 m-70 -112.23 104.82 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 160.77 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.446 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 15.6 m-85 -51.13 159.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.503 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.3 Cg_endo -69.79 173.16 11.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -112.47 1.51 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 151.37 41.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.69 37.72 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -79.02 -48.13 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -74.84 -42.16 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -45.8 -52.26 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.35 -33.12 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -59.11 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 13.7 m95 -52.84 -43.72 66.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.48 -28.91 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.78 -28.53 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 87' ' ' PHE . 5.3 mt -81.88 -28.52 32.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.568 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.4 p -85.21 -24.33 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 46.12 68.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' CD ' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -108.81 32.32 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' PHE . 10.4 tppt? 73.86 64.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t30 38.46 30.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.74 174.61 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -130.05 145.08 55.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.141 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 54.1 Cg_endo -69.79 144.68 54.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -122.0 -81.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.13 -71.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -58.17 -37.19 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -41.0 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.31 170.44 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 17.3 mt -130.86 144.4 51.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 m -66.35 165.76 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -47.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' HD3' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -39.11 -31.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -56.8 -55.72 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' HD22 ' A' ' 78' ' ' LEU . 15.2 m-85 -66.96 153.65 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 39.1 mt-10 -79.83 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.37 -39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -8.06 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.2 m -84.65 -4.35 58.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -105.59 176.6 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -96.82 69.5 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.4 90.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -112.42 130.95 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -66.76 115.0 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -68.85 147.41 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -40.08 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 14.7 m-20 -85.75 28.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . . . -109.11 125.63 52.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG13 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.9 150.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.78 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.1 p -85.09 47.57 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 83.4 mt -148.99 -91.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 46' ' ' VAL . 1.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 59' ' ' LEU . 44.4 t -70.07 114.65 8.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -54.6 -18.53 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -39.89 161.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 46' ' ' VAL . . . -102.99 33.09 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.46 50.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 37.7 t -125.39 -82.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . 83.38 100.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.71 6.29 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -47.31 123.23 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER 34.47 82.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.329 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.432 ' CG1' ' HD3' ' A' ' 62' ' ' LYS . 1.7 mt -44.23 137.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 179.56 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 5.5 m-85 -127.66 103.62 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 94.9 m-70 -103.42 101.74 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.4 169.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.0 157.17 87.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.38 2.35 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.62 141.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.495 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 53.3 Cg_endo -69.76 -16.58 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -75.46 -41.71 54.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 26.7 mmt180 -93.53 -41.08 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -38.3 -36.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -79.41 -45.44 19.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -53.62 55.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.646 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 14.1 m95 -50.47 -58.44 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.488 ' CG1' ' NE ' ' A' ' 48' ' ' ARG . 23.6 t -60.76 -20.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -86.77 -20.11 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 3.9 mt -87.31 -41.75 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -50.12 -33.8 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 75.46 28.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -74.22 -152.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.478 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 6.0 mtpt -131.61 81.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 51.42 46.63 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -96.48 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.2 t -155.53 145.54 15.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.723 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HA ' ' CG2' ' A' ' 57' ' ' THR . 53.7 Cg_endo -69.79 138.75 38.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.17 -74.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 -45.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.317 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -110.7 56.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.04 118.47 34.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -148.6 173.62 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 6.0 mt -139.7 130.78 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 10.3 m -39.97 160.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.546 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.3 p -90.94 -38.71 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -34.36 -52.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.2 m-70 -49.06 -60.76 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.646 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 73.6 m-85 -58.17 146.78 32.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -94.69 -170.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.58 56.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.44 -0.27 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -109.05 -9.96 15.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 65' ' ' GLU . 55.5 m-85 -106.61 174.14 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 104.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -126.5 125.64 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.1 113.61 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.2 mtpp -59.86 131.98 52.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -21.6 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.07 34.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.52 141.48 51.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.608 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -120.26 151.04 52.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 64' ' ' PHE . 54.0 Cg_endo -69.75 92.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.9 p -74.51 4.97 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.7 OUTLIER -134.31 149.68 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.3 t -86.9 137.2 32.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.14 -2.27 50.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.76 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.09 101.67 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 79.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -138.1 -75.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.51 90.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -108.59 6.94 26.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -34.91 -78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 88.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -48.8 147.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.47 171.97 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 43.5 p90 -117.46 104.48 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -113.45 103.19 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 173.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.44 156.76 91.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.77 138.56 38.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -14.69 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -80.4 147.11 63.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.61 8.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -57.87 -47.75 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 29.0 mmt180 -83.35 -47.67 11.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -40.18 -50.82 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.28 -32.77 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -68.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 33' ' ' PRO . 16.5 m95 -39.21 -33.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.13 -35.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -71.86 -22.91 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.67 -48.34 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 p -59.9 -11.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER 82.65 -47.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.96 93.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' ARG . 2.5 mtpt -76.27 -46.36 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -77.3 49.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -150.24 153.5 36.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.603 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -150.46 144.68 17.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.151 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -171.04 -150.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.9 124.22 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -146.42 166.51 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 mt -132.63 139.6 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.1 m -63.21 163.69 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.89 -12.85 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -62.3 -45.87 91.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -56.55 -47.03 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 60.3 m-85 -62.96 170.45 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -95.61 -14.84 23.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 69' ' ' PHE . . . 75.98 -7.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.74 0.0 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -107.18 3.15 25.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 4.1 m-85 -80.54 -178.83 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.1 t0 -103.82 93.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.74 0.305 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 100.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' ASP . 49.6 mtp85 -119.1 128.25 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.568 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -63.85 111.33 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.5 mttp -58.41 137.12 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -7.13 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.6 18.14 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 68' ' ' CYS . . . -105.79 141.81 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -129.65 151.82 78.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 88.62 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 p -78.12 6.97 6.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 1.6 mp -124.55 161.08 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -78.54 131.77 36.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.74 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . . . -69.5 103.49 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.4 164.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.53 -46.57 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.97 -80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.83 65.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.25 133.76 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -124.96 -171.74 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -59.37 -56.61 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mt -74.78 131.93 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -72.89 136.24 45.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 24.4 p90 -94.43 114.82 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -114.37 96.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 164.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 8.7 m-85 -56.46 158.96 7.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.83 151.85 68.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -14.13 42.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 149.35 54.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -38.63 7.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -55.94 -43.57 77.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.9 mmt180 -85.99 -49.44 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.9 ttm180 -37.17 -53.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.44 -32.7 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.9 mt-10 -65.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 13.0 m95 -42.72 -46.2 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.25 -31.62 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -32.28 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.9 -38.46 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG23 ' CD ' ' A' ' 48' ' ' ARG . 14.2 p -77.48 -30.93 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 50.0 64.37 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -110.49 35.7 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER 82.04 -164.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -78.38 46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.52 158.15 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -138.57 144.37 42.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.9 Cg_endo -69.77 73.85 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.32 -12.41 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -121.34 -170.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -59.56 82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 32' ' ' PHE . 3.5 m -136.48 123.29 21.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -142.37 161.76 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.75 138.02 53.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 m -63.09 143.17 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -27.83 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -59.4 -37.64 78.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 24.5 m-85 -88.6 146.51 25.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.1 mm-40 -73.37 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.45 -38.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 m -61.22 -13.7 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 55.8 m -87.38 -0.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.52 175.71 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -108.16 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 76' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 3.3 ttp180 -57.21 101.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -112.43 128.2 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.2 113.07 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.452 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 4.3 mtmt -53.43 130.6 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -18.6 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.38 32.91 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.29 134.03 55.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.491 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.21 151.33 44.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.71 90.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.406 ' C ' HG13 ' A' ' 86' ' ' ILE . 41.1 p -58.26 -11.27 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.433 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -133.89 -152.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.5 132.15 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NH1' ' A' ' 48' ' ' ARG . . . -76.83 -19.85 57.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -56.46 124.21 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.52 120.55 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.18 23.23 25.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 t -123.27 -66.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.87 105.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.24 127.23 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.49 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -138.1 -41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 t30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.1 138.78 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -68.82 164.15 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.547 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 15.8 p90 -121.52 106.36 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -114.79 96.42 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.64 177.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.78 155.92 91.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -25.32 54.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 147.06 88.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -42.94 3.02 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.405 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -46.8 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.9 mmt180 -83.15 -52.34 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 10.3 ttt180 -37.54 -52.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.92 92.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -60.98 -57.57 12.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.539 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 15.6 m95 -46.01 -38.28 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 t -80.63 -26.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.4 35.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.19 -38.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 14' ' ' ALA . 5.8 p -67.06 -15.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 74.52 47.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' O ' ' A' ' 13' ' ' ALA . 19.2 mtt180 -149.02 56.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.35 -27.7 62.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -68.17 -15.83 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -104.07 166.64 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.571 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -158.94 145.24 12.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.55 -35.17 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.61 -94.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -132.3 -0.52 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' HIS . 3.7 m -36.89 125.45 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -141.42 175.48 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 11.2 mt -136.76 142.28 43.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.91 166.48 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.0 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -42.22 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -50.46 -57.33 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 65.1 m-85 -71.35 141.56 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.56 -97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.94 -37.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 m -60.46 -16.18 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -6.96 57.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 64' ' ' PHE . 83.9 m-85 -117.26 175.6 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -104.61 101.34 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 76' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 3.2 ttp180 -150.59 96.72 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -108.99 128.39 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -66.69 111.79 3.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 1.5 mtpp -67.48 137.35 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.4 mmm -59.02 -22.72 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -96.15 18.99 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.95 132.15 53.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.48 151.39 56.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 80.67 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -88.89 29.48 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.04 -68.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -109.56 -62.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -103.41 14.38 31.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.06 -140.57 22.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.56 139.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 43.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.88 113.01 4.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ptp -137.03 150.0 68.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 77.71 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.16 101.66 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.608 ' ND2' ' H ' ' A' ' 12' ' ' CYS . 8.9 t-20 -55.77 165.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.608 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 20.1 t -104.38 135.37 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' CB ' ' NH2' ' A' ' 48' ' ' ARG . . . -69.18 -37.21 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.98 157.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.43 145.06 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.98 29.11 73.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -103.71 158.53 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.94 51.61 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.9 m -115.8 139.21 50.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -168.22 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.0 t80 176.9 87.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -88.72 -87.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -62.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -86.34 -6.62 58.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 mm -58.66 110.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -101.87 18.77 19.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 28' ' ' SER . 6.7 mt -62.51 144.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.94 139.2 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.558 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 40.7 p90 -88.68 108.81 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -115.05 105.18 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.507 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 9.1 m-85 -78.61 154.29 78.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.83 135.82 31.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -11.25 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -83.37 144.57 46.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 110.836 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.76 -36.14 11.36 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -59.18 -45.18 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.19 -49.16 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 3.2 ttm180 -37.16 -56.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -62.9 -39.32 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -58.51 -57.92 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 11.3 m0 -47.24 -46.81 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 77.1 t -71.87 -34.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 8.0 mt -93.76 -44.7 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' HA ' ' CE2' ' A' ' 87' ' ' PHE . 5.4 p -54.19 -16.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.06 74.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.411 ' NH2' ' CB ' ' A' ' 13' ' ' ALA . 12.1 mtm180 -151.0 73.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 48.76 -170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -85.33 25.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -52.94 162.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -134.81 145.38 54.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.57 -31.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.97 144.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 62.2 16.5 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.507 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -92.96 101.8 14.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -144.36 160.96 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 27.7 mt -129.43 144.42 51.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -71.76 154.5 41.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -75.17 4.64 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -86.22 -26.73 24.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 42.5 m-70 -83.07 -11.67 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 57.2 m-85 -101.8 147.23 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -66.08 -5.21 9.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 75.69 -48.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -15.82 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 2.53 30.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' HD21 ' A' ' 78' ' ' LEU . 7.1 m-85 -85.87 -176.54 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.6 t70 -103.24 59.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -94.47 -33.09 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -38.21 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -126.07 51.42 0.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.454 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.478 ' O ' ' CG2' ' A' ' 75' ' ' THR . 0.1 OUTLIER 81.47 168.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 74' ' ' GLN . 12.0 t 46.46 -154.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.432 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 ttp180 -168.79 83.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mtt180 -106.19 126.63 52.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -53.03 113.83 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 26.4 mtpp -60.97 135.73 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.7 mtm -64.87 -6.59 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.75 20.18 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.14 170.96 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.31 151.63 16.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.618 0.723 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.5 Cg_endo -69.79 92.2 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.3 p -68.37 -10.75 57.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -131.65 -170.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 167.36 -24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 48.47 50.31 16.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -83.78 6.95 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' PHE . 2.0 m 34.78 81.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -35.46 -72.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -131.0 -68.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.38 -43.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.5 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.76 162.41 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -164.41 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.2 t -80.0 -50.78 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 p 45.02 -94.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -158.57 110.84 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 62.1 20.87 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.67 -177.14 38.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -117.93 -23.71 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p 55.79 32.11 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 -127.42 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.31 158.65 75.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 155.12 66.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.457 HG21 ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -138.25 162.8 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -94.22 -177.42 4.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.06 134.48 36.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.63 -34.33 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.15 140.37 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.58 -10.6 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.47 63.87 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -155.1 -68.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.72 36.06 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 137.66 47.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.5 -75.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.31 148.12 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -145.59 25.22 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.57 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ILE . 42.2 m170 -59.55 -67.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -36.8 134.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.48 34.58 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -40.63 143.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.29 144.07 25.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 22.1 p90 -96.85 111.7 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 94.5 m-70 -116.18 98.07 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.88 176.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.566 ' CD2' ' HG3' ' A' ' 53' ' ' PRO . 4.5 m-85 -69.89 156.49 91.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.82 140.06 41.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -72.92 -14.39 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.22 147.9 54.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.88 2.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -46.96 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 55.4 mmt-85 -83.49 -49.66 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.58 -54.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -61.32 -34.88 75.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' VAL . 8.7 mm-40 -68.41 -63.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 13.4 m95 -38.8 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 41' ' ' GLU . 60.9 t -89.49 -39.36 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -68.2 -37.2 80.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 2.9 mt -66.76 -56.31 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.73 -16.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 42.52 78.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.7 mmm180 -112.57 -11.36 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 61.13 128.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' LYS . 36.2 t30 36.93 56.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -138.06 151.51 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -163.47 144.47 7.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 111.124 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.83 175.78 7.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.17 35.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 1.1 ttpt -169.24 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -123.55 -5.79 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.521 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.9 OUTLIER -37.59 122.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -148.15 166.23 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.59 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.7 mt -132.31 140.2 48.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.4 m -64.81 155.62 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -87.32 -15.42 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 1.3 ptmm? -57.07 -39.09 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 50.2 m-70 -67.91 -43.75 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 32.8 m-85 -60.71 165.68 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 86' ' ' ILE . 2.9 mm-40 -87.77 -13.45 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.428 ' HA ' ' CE1' ' A' ' 69' ' ' PHE . . . 77.48 -9.46 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.4 0.96 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.13 -0.49 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.1 m-85 -81.8 179.19 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -119.3 102.21 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.35 -94.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 t 39.68 32.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.33 -54.39 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.26 -168.47 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 t -65.52 -165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.14 104.51 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' ASP . 20.4 mtt180 -118.33 125.45 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.561 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -68.69 120.68 15.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' N ' HD11 ' A' ' 78' ' ' LEU . 22.3 mtpp -71.22 127.22 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -15.06 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.71 9.41 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -101.61 156.17 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -141.57 151.04 59.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.131 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.81 77.01 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.5 p -88.13 42.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 65' ' ' GLU . 2.9 mp -139.69 -73.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 45.93 70.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.18 124.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -62.92 150.93 40.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.25 175.29 8.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.9 m 53.08 100.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 59.1 90.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.1 tt -60.57 140.72 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m -135.08 4.77 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.12 -169.0 53.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 153.15 69.04 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.5 m -95.22 45.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.97 137.15 32.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -119.5 25.26 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.789 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.33 128.12 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.79 -125.36 4.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.69 -52.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t 52.69 -91.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 -145.48 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -119.52 143.95 35.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -170.33 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -149.53 145.4 26.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.6 136.92 49.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . . . -82.4 -29.95 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.59 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -42.64 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.26 -45.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 6.0 t -77.83 156.92 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.76 115.95 10.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.85 135.04 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -128.07 171.18 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' THR . 31.9 t80 -35.82 -53.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' CB ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER 48.9 -169.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -115.49 -67.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -93.55 62.59 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.5 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.9 -45.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER 82.44 -39.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 HD12 ' CD ' ' A' ' 62' ' ' LYS . 8.7 mt -53.99 134.51 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.33 131.19 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 42.8 p90 -80.3 103.99 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 97.5 m-70 -106.17 99.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.76 171.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.495 ' CE1' HG22 ' A' ' 57' ' ' THR . 10.7 m-85 -64.43 154.25 84.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.73 145.16 56.49 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -17.94 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.09 145.41 60.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.05 17.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -42.03 96.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 30.1 mmt180 -88.89 -47.85 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.4 -49.07 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -70.3 -38.63 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -60.46 -57.88 10.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 16.5 m95 -47.02 -45.34 21.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.85 -25.13 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -82.76 -20.75 35.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -90.81 -24.91 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.26 -10.76 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 39.07 74.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HB3' ' CD2' ' A' ' 51' ' ' PHE . 2.3 mtp85 -117.85 30.51 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.08 -155.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.18 52.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -99.5 150.06 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -128.29 144.37 51.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 111.138 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.3 Cg_endo -69.78 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 -85.03 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 5.7 ttpt -139.24 146.47 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER 74.6 -1.09 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.495 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.79 113.15 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -142.42 166.52 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 10.1 mt -132.39 139.63 48.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 16.0 m -66.91 138.05 57.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.4 p -66.38 -30.98 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.458 ' CD ' HD12 ' A' ' 27' ' ' ILE . 2.6 mtpt -44.02 -45.8 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 42.2 m-70 -60.27 -39.95 88.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 26.5 m-85 -66.04 167.12 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -83.96 -14.77 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 78.51 -11.5 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -0.05 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.413 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.93 -2.37 29.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.3 m-85 -79.91 179.38 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -125.8 84.18 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.5 -93.97 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.2 t 37.71 36.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.37 -74.27 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' N ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -68.92 -172.96 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.908 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.477 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 2.8 t -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.08 98.0 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASP . 52.4 mtt-85 -106.35 126.95 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.95 123.51 23.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' N ' HD12 ' A' ' 78' ' ' LEU . 33.3 mttm -67.08 123.52 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.8 mtm -53.26 -16.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.04 22.35 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB1' ' CD1' ' A' ' 78' ' ' LEU . . . -110.82 141.51 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.515 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -126.26 151.88 72.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 111.153 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.7 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -79.76 10.07 4.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.26 126.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.07 13.62 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.32 172.97 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.7 156.33 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.48 -168.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.9 t -156.05 147.35 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.58 -78.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -150.79 -38.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -41.97 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.62 177.36 48.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 98' ' ' SER . 54.5 Cg_endo -69.74 147.44 63.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.275 . . . . 0.0 112.392 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 80.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.4 OUTLIER -104.39 178.73 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -27.53 32.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.8 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -58.32 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.88 99.89 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.84 157.39 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -163.72 85.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.19 -40.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -91.1 148.94 39.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.41 2.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 168.24 9.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -104.53 -179.67 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 11' ' ' ASN . 19.4 t -100.52 134.4 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.69 -18.79 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.96 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.04 -89.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.97 87.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.4 t -142.3 154.27 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.46 48.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -115.38 114.62 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -163.14 -51.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -139.68 97.18 3.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -125.03 44.45 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt 47.84 79.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 57.75 61.89 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 tt -59.35 139.38 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -73.35 -34.93 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 26.7 mt -44.61 149.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 p -98.38 176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 23.8 p90 -125.31 106.67 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 95.6 m-70 -105.69 96.82 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -53.78 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.91 154.74 86.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 140.49 42.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.54 -9.86 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 147.89 47.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -38.53 7.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -57.95 -47.63 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.6 mmt180 -82.17 -47.51 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 ttt180 -39.8 -52.44 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.69 -30.3 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 38' ' ' ARG . 3.9 mm-40 -69.71 -62.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.528 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 16.3 m95 -43.28 -31.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 51' ' ' PHE . 42.5 t -88.76 -34.12 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -73.79 -21.23 60.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -85.05 -54.49 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 2.8 p -54.04 -15.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 35.3 77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 7.5 mmm180 -123.64 30.16 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 78.56 -153.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 3.1 t-20 -76.35 54.36 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.465 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -98.78 139.14 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.04 146.22 60.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 129.67 17.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.92 -76.82 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -81.79 60.77 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 106.32 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -139.1 161.9 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 9.1 mt -132.99 141.0 48.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 15.0 m -64.12 144.01 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -26.35 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -38.06 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.1 m-70 -68.17 -37.79 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.8 m-85 -68.88 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -83.71 -14.78 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 78.6 -11.69 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 t -80.93 0.11 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.04 0.72 38.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.559 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.3 m-85 -82.3 179.9 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -103.66 99.84 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -113.31 -32.48 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -73.36 -7.35 51.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.35 -64.76 0.42 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -147.63 -158.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.8 146.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -56.87 102.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.1 mtt180 -126.45 128.96 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.559 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -62.0 111.84 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 12.9 mtpp -56.7 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mtm -64.82 -6.63 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.76 20.26 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.83 151.37 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.528 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -135.74 151.25 73.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.714 . . . . 0.0 111.114 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 90.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -73.44 2.85 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -127.43 150.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 86' ' ' ILE . 1.2 m-85 -173.41 -55.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -135.01 -81.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 73.98 20.1 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 p -72.06 -75.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.53 154.62 20.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 pt -138.58 127.67 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.93 -166.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 79.61 48.46 6.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.548 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.6 Cg_endo -69.78 67.75 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 77.87 99.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -135.29 175.27 9.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -160.93 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -93.42 -62.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 139.98 3.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -114.25 -0.51 13.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -84.8 145.74 27.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.12 164.56 24.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mtt 56.89 159.46 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.574 0.702 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 87.7 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.425 ' C ' ' ND2' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -83.51 145.63 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 10' ' ' THR . 9.3 m-80 -157.28 -175.24 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -86.86 116.98 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.94 -41.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.19 129.23 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.11 -131.17 3.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 5.4 t 56.16 162.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.64 73.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.65 133.44 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.2 -90.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -124.98 -61.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.09 172.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.02 2.06 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.94 -35.62 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 138.5 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.73 1.88 12.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.17 139.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 m -82.72 168.07 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 9.6 m-85 -118.25 107.07 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 75.7 m-70 -110.7 104.22 12.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.58 177.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.12 155.13 93.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.8 143.82 51.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -78.88 -15.47 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.92 145.56 57.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.95 22.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.19 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.1 mmt180 -86.57 -46.87 9.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -39.56 -53.77 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -65.8 -27.05 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -72.18 -63.83 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.561 ' CD1' HG11 ' A' ' 83' ' ' VAL . 12.4 m95 -39.83 -45.26 1.75 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.16 -33.97 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -78.87 -19.99 50.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -53.67 -21.86 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 65.74 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -147.97 -39.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tttm 67.14 -72.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 58.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -153.93 162.58 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.535 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -160.67 145.54 10.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.107 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.59 -76.01 1.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' CG ' ' CE1' ' A' ' 56' ' ' HIS . 5.4 ptmt -164.96 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -89.75 -1.73 58.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.6 m -84.6 129.57 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -145.34 172.18 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 7.3 mt -130.41 133.41 46.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 12.7 m -60.26 155.36 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p -90.22 -16.54 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -56.77 -39.93 74.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 50.6 m-70 -66.25 -48.69 69.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -49.78 170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 42.1 mt-10 -91.28 -14.14 31.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 76.76 -8.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.23 0.63 35.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.62 -5.13 24.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.653 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.1 m-85 -79.76 164.75 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -95.89 80.9 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' CG ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -67.07 -19.24 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.1 134.94 51.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.02 -61.21 0.38 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.38 124.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.442 HG22 ' N ' ' A' ' 76' ' ' ARG . 9.0 t 39.56 -158.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.46 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mtm180 -116.85 110.07 17.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.99 129.34 55.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.653 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -68.46 117.23 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 3.3 mttm -51.33 127.36 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -7.51 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.24 12.84 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -92.61 157.89 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -144.25 150.65 49.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.183 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 92.63 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 p -89.75 51.23 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.32 -93.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 8.0 m-85 55.17 49.35 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.46 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -169.2 83.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 -52.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.1 p -92.65 127.99 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 84.0 t60 -152.78 53.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 tt -134.27 95.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.4 p -177.89 101.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.0 177.6 41.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -38.9 7.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.36 94.16 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 136.17 33.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.472 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.01 118.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.798 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 147.54 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.89 -26.83 73.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -146.17 176.55 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.79 113.6 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.41 174.77 40.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -155.78 157.35 31.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.95 29.22 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 10' ' ' THR . 52.5 m -102.67 1.45 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' CYS . 11.3 m-20 61.31 170.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' ASN . 48.6 t -35.96 121.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -25.13 68.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.1 100.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.17 109.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.73 34.47 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.0 t -144.13 -76.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 68.22 76.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.27 131.42 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -116.04 -84.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -125.16 140.94 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' ND2' HG13 ' A' ' 25' ' ' ILE . 2.0 m120 -116.29 154.23 30.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -13.06 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -108.32 -43.74 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' C ' ' CG ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -80.04 -153.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' CG ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -164.8 24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 mt -47.5 140.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.404 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -101.86 143.73 31.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 51.4 p90 -86.3 112.58 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 77.0 m-70 -112.42 95.4 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -53.61 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -79.74 153.42 75.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.7 0.762 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.85 148.71 65.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -82.52 -9.71 59.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -86.04 145.21 40.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.2 Cg_endo -69.81 -31.01 21.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -64.88 -42.33 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' GLU . 1.6 mmp_? -87.68 -49.19 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.5 ttt180 -38.54 -50.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -65.42 -35.23 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -65.9 -62.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.564 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 19.5 m95 -40.14 -36.94 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.43 -32.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -72.87 -20.51 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 5.0 mt -88.26 -52.72 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.98 -20.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 63.82 68.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -138.64 95.49 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 144.16 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.61 31.51 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.45 138.22 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.53 144.46 53.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 147.63 63.09 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.51 -97.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -123.18 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 11.5 m-70 79.19 -54.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.7 OUTLIER -36.67 116.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -144.86 170.03 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 18.3 mt -131.82 144.26 50.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.5 m -67.55 151.91 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 5.3 p -84.79 -18.33 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -56.44 -39.4 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 45.1 m-70 -64.75 -47.84 76.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -54.05 165.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -83.97 -14.79 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 65' ' ' GLU . . . 78.56 -11.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -0.05 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.91 -4.53 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.592 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 3.8 m-85 -79.48 166.75 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.4 t0 -97.57 87.97 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.7 -20.73 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 73' ' ' GLY . 1.3 t -102.39 -163.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' N ' ' CG2' ' A' ' 72' ' ' THR . . . 70.81 -88.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.95 -69.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.92 0.39 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -134.21 168.35 19.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -66.83 97.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.6 mtt-85 -113.44 130.1 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.1 tm? -62.43 119.57 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 68' ' ' CYS . 13.9 mttt -55.68 119.36 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mtm -52.77 -17.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -100.11 22.05 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.22 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.564 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -132.44 152.19 79.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.442 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.3 Cg_endo -69.79 69.97 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.9 p -82.12 41.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 mt -139.94 -81.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 57.2 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.86 165.72 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.19 -66.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.17 78.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 p -127.68 -178.5 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -175.3 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.52 -47.3 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.9 p 41.13 58.02 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . -162.15 51.78 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.8 Cg_endo -69.71 147.99 64.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.2 OUTLIER 74.15 1.84 3.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.8 OUTLIER 80.84 37.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.509 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m 44.61 -168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.906 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -153.76 99.14 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.36 68.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -147.2 107.88 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 p -97.85 -40.49 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.97 -121.39 4.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -65.47 148.69 97.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 86.87 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -101.1 156.42 17.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -135.71 175.2 9.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.4 t -81.19 119.89 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.76 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 124.49 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.068 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 127.9 33.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.75 60.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 46.6 t -111.32 116.2 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.74 76.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.63 132.68 36.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.8 p -149.93 -89.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -58.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' HIS . 3.4 m-20 63.04 12.44 5.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 35.03 33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -170.53 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.78 136.38 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.56 11.06 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . 1.3 mt -34.39 149.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -86.42 173.08 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 11.7 p90 -125.14 107.79 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -114.61 105.1 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.1 155.19 74.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.733 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.78 137.69 35.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.78 -16.42 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.65 143.95 68.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -33.97 15.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.1 -43.47 98.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' ARG . 61.7 mmt-85 -87.56 -49.62 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 2.4 ttm180 -36.72 -53.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 4.8 mmmm -65.89 -39.99 91.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -53.52 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.556 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 11.2 m95 -52.27 -43.41 64.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 22.3 t -76.19 -28.4 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -79.17 -23.76 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 4.9 mt -87.39 -40.8 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.0 p -70.3 -17.95 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 36.55 85.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -145.78 92.02 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt 47.37 32.67 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 39.9 30.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.602 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -54.03 -173.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.602 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -139.13 145.74 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 111.171 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.16 44.55 3.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' THR . 1.2 mttt -178.32 -173.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -40.42 -28.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.536 HG22 ' CE2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -36.05 121.89 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -146.64 171.44 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.3 mt -134.63 137.71 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 m -55.62 163.15 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -9.62 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -71.01 -41.42 70.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -56.89 -31.45 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.7 m-85 -93.68 160.12 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.56 -165.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.19 -25.54 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -1.88 36.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.4 m -100.46 -6.64 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CE1' HD21 ' A' ' 78' ' ' LEU . 74.9 m-85 -108.81 178.94 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -123.77 85.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -103.13 -29.01 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -44.17 -25.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.59 -75.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.481 ' C ' ' CG2' ' A' ' 75' ' ' THR . 32.5 mt-30 -155.54 139.03 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 74' ' ' GLN . 0.3 OUTLIER 49.61 178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' N ' ' OG1' ' A' ' 75' ' ' THR . 5.9 mtm180 -103.39 117.62 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ASP . 19.4 mtt180 -129.33 126.65 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 0.9 OUTLIER -68.47 112.67 5.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.484 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 11.9 mtpp -55.88 139.21 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -10.65 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.88 25.43 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.76 133.23 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.59 151.57 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 53.9 Cg_endo -69.73 91.14 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.0 p -88.57 -11.52 45.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mt -90.17 -67.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.48 ' CD2' ' HB2' ' A' ' 84' ' ' PRO . 0.3 OUTLIER 40.2 84.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -42.72 82.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 t80 75.17 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 10.5 p -141.52 -172.8 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.1 p -76.52 -166.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 93' ' ' ILE . 14.9 m-70 -94.12 73.39 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER 36.54 39.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.76 105.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.11 -170.32 39.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.54 68.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.81 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.27 -59.51 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.508 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -122.6 -37.84 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.15 43.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.58 -132.8 3.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -143.46 103.2 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p -133.03 95.79 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.02 44.68 1.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.47 160.52 32.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 101.26 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.0 m -147.54 135.23 21.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -132.98 152.26 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.5 129.4 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 51' ' ' PHE . . . -67.71 -31.88 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -35.98 138.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.83 108.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.35 72.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 t -148.77 -64.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 19' ' ' THR . . . 63.13 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 83.39 6.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 p -43.18 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.18 134.44 53.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -142.73 17.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 80.45 -71.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -128.84 91.04 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.0 146.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.79 48.46 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.1 mt -79.1 139.78 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -80.36 177.22 9.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 18.7 p90 -127.3 108.38 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 86.3 m-70 -114.62 97.12 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 6.6 m-85 -67.91 156.89 88.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.73 139.81 41.25 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -73.82 -11.59 60.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.33 146.23 44.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 0.0 110.891 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -56.4 -43.4 79.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -85.27 -50.08 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.69 -51.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -64.41 -39.71 94.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' LEU . 2.2 mm-40 -60.05 -59.43 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 12.4 m95 -44.76 -54.41 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -62.39 -23.68 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -90.6 -20.12 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.7 mt -88.55 -41.4 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 1.3 p -61.61 -29.97 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.72 85.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -143.67 155.71 44.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -96.71 125.9 41.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 48.95 36.66 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 1.0 OUTLIER -100.99 155.92 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.629 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -176.43 144.64 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.547 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.7 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.294 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.59 -39.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 3.4 tttp -169.91 125.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 1.8 m170 77.66 -0.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.557 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -83.56 115.46 22.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -147.3 163.97 34.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 11.7 mt -127.07 137.25 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.2 m -55.71 167.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.0 p -96.68 -17.41 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -61.73 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -64.21 -60.38 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.78 150.79 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -76.39 -97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.12 -38.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -10.49 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -88.03 -0.36 56.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.498 ' CE2' HD22 ' A' ' 78' ' ' LEU . 92.2 m-85 -114.17 -178.84 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.5 t70 -103.71 75.96 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -82.1 -34.03 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.4 t -88.47 59.36 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.25 -52.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 176.17 131.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t 43.19 -166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -113.35 96.3 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 57.1 mtt180 -112.45 130.06 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -62.88 110.89 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 12.7 mtpp -49.7 130.85 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mtp -59.17 -11.9 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.43 28.79 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.85 139.56 43.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.3 151.13 58.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 88.46 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -91.37 19.7 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 mp -134.79 -65.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 58.02 -82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' ILE . 5.5 t0 -171.53 135.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.01 99.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 p -121.14 163.63 18.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 143.91 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -63.02 -24.39 67.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.46 57.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.16 110.33 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 49.6 63.15 4.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 79.39 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 p 40.3 72.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -132.26 -64.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.512 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.83 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.68 153.71 27.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.02 -114.82 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.15 -6.39 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t 43.69 53.13 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.49 -148.53 5.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.5 mtm -84.81 150.12 55.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p -116.56 -161.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.43 127.26 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t -49.03 108.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' CYS . . . -34.42 -43.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.3 143.53 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.24 -56.97 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.58 61.97 4.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.67 153.8 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.57 34.79 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -92.89 114.48 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 p -137.25 -70.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -96.73 -77.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER 78.17 -46.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 3.7 tptp 80.47 -8.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 15.4 m80 -151.64 -151.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER 77.95 157.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.21 6.73 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.9 134.24 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -105.96 177.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 3.5 m-85 -119.2 105.45 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CD2' ' CB ' ' A' ' 78' ' ' LEU . 13.2 m80 -114.75 102.26 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.74 179.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.84 155.77 84.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.694 0.759 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.509 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.2 Cg_endo -69.76 151.73 69.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.44 -22.65 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -73.73 148.5 87.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.75 -39.55 6.4 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.58 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 11.5 mmp_? -85.74 -50.75 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 ttt-85 -37.25 -52.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 10.9 mtpt -66.8 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.7 OUTLIER -64.3 -61.55 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m95 -41.13 -34.68 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.91 -30.7 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.5 ttm-85 -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 2.4 mt -82.36 -49.6 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 47' ' ' ARG . 2.6 p -50.6 -18.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 37.8 mtt180 77.25 40.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -105.73 -74.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER 77.15 -52.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.87 23.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.13 150.4 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.46 145.4 43.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.15 4.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 55' ' ' LYS . . . -116.97 53.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER 79.92 -53.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -80.3 44.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.2 123.77 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.1 150.38 34.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.7 mt -125.0 138.82 54.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.2 m -57.23 171.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -97.25 -24.43 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -38.03 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -56.88 -53.52 57.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 92.3 m-85 -70.21 129.49 39.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.54 -97.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.99 -39.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 p -59.7 -10.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -15.46 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.489 ' CE1' HD22 ' A' ' 78' ' ' LEU . 85.0 m-85 -106.62 157.73 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.25 102.7 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -73.96 -59.53 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 t -52.29 163.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.51 -90.05 1.03 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.1 -174.42 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -39.97 160.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.99 125.66 23.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -128.86 128.7 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' CB ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -60.04 110.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -67.69 136.26 54.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 ptp -56.39 -24.27 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.07 20.72 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.67 131.93 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.517 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.77 151.59 60.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 86.64 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -78.42 8.11 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mp -135.72 151.62 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -169.06 -64.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.99 145.63 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.84 112.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.83 -72.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 172.61 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 47.4 m170 56.52 179.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.3 109.54 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -80.51 145.14 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.77 173.06 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 125.49 12.22 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -159.64 24.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -119.17 154.01 33.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.484 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.58 -85.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.81 -66.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.78 -16.9 55.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -24.9 63.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.38 -26.03 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.66 -150.26 41.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtt -132.94 151.43 77.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.517 0.675 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.89 128.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -141.09 140.25 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.4 t -46.14 129.01 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -69.15 -40.17 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -37.79 121.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 98.15 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.92 39.35 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 10.3 t -130.81 -72.8 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . 81.4 118.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -170.96 130.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -141.82 -89.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.3 159.8 35.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -170.97 -161.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.7 -20.13 11.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.0 -44.12 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 mm -38.62 -75.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 56.23 25.92 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.1 mt -63.41 142.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.8 p -78.98 -179.5 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 44.8 p90 -132.41 109.64 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -116.23 98.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.6 175.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.555 ' CE1' HG23 ' A' ' 57' ' ' THR . 7.1 m-85 -68.12 156.11 90.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.498 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.79 140.46 42.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.64 -19.83 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -78.74 148.45 72.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.72 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -47.63 -42.93 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.4 mmt180 -86.73 -52.07 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -36.63 -56.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -62.56 -34.15 76.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.9 mt-10 -63.88 -59.4 4.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 12.8 m95 -46.42 -41.24 13.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.411 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 15.1 t -75.42 -31.56 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.54 -26.48 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 10.3 mt -85.49 -24.38 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 43' ' ' VAL . 9.0 p -96.64 -27.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 67.22 -72.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 35.56 33.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ARG . 17.6 mmtp 65.61 -152.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -76.91 51.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -89.0 159.95 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -149.65 146.38 20.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.424 ' N ' HG12 ' A' ' 52' ' ' VAL . 54.0 Cg_endo -69.74 85.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.84 -55.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -87.88 -169.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 83.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.555 HG23 ' CE1' ' A' ' 32' ' ' PHE . 5.9 m -126.64 126.38 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -144.28 172.42 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.29 135.62 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.3 m -58.26 163.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -5.77 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 2.0 ptmt -73.43 -30.74 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 90.2 m-70 -62.6 -52.54 62.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 74.7 m-85 -70.49 -178.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' CG ' ' CD1' ' A' ' 86' ' ' ILE . 1.4 mm-40 -108.08 -97.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.37 -41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.3 m -60.52 -10.49 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 37.4 m -91.03 0.0 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 78' ' ' LEU . 50.8 m-85 -113.28 -177.77 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.1 t0 -100.88 77.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -85.73 -42.37 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' GLY . 4.5 t -40.21 99.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . . . 35.28 66.85 0.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 171.21 145.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.12 142.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.466 ' CG ' HD11 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -64.37 97.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 48.1 mtt-85 -116.64 128.89 55.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -59.59 111.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 15.5 mtpp -54.58 134.02 46.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -17.52 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -111.38 27.28 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.73 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.15 151.55 45.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 111.101 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.81 84.09 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 43.4 p -85.78 38.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.411 ' CD1' ' CG ' ' A' ' 65' ' ' GLU . 7.3 mt -150.43 -69.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 53.49 84.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.53 145.34 50.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -67.84 -9.31 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.4 t -150.36 152.65 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -132.06 120.39 22.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -162.09 98.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.2 tt -135.92 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -161.47 165.29 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.4 170.66 32.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.33 27.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m -55.01 154.83 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m -83.8 76.96 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.522 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.04 -82.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -73.57 109.94 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.33 23.74 13.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -171.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -75.34 -68.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.54 179.28 22.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -119.86 156.63 53.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 152.21 69.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.428 HG23 ' ND2' ' A' ' 11' ' ' ASN . 2.2 m -158.18 151.95 23.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.428 ' ND2' HG23 ' A' ' 10' ' ' THR . 0.5 OUTLIER 68.76 153.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 t -106.0 125.43 50.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.93 139.31 5.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.03 128.47 35.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.8 33.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.432 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -120.91 -68.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.95 82.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.43 135.36 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -141.44 -157.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -60.98 -32.78 72.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 39.41 46.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.15 -88.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 103.31 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 26' ' ' ASN . 1.2 mm -130.7 156.29 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -114.23 -33.22 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -37.03 143.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.48 157.37 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.533 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -103.08 110.89 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 91.5 m-70 -116.16 97.33 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -178.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -72.03 156.34 90.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 147.45 62.74 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -81.14 -9.82 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.67 40.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.91 17.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.67 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLU . 4.9 mmp_? -87.43 -50.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -36.51 -53.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -64.67 -37.52 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ARG . 8.0 mm-40 -63.43 -56.44 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 13.1 m95 -45.99 -47.52 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.95 -22.49 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -87.83 -22.31 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 5.4 mt -87.8 -15.79 35.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG21 ' CG ' ' A' ' 48' ' ' ARG . 7.6 p -97.49 -12.25 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.03 79.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.442 ' CG ' HG21 ' A' ' 46' ' ' VAL . 6.7 mmm180 -122.56 127.35 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -63.26 124.87 22.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 38.81 57.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 18.1 t80 -116.49 161.43 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -169.93 145.05 2.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.148 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' N ' HG11 ' A' ' 52' ' ' VAL . 53.6 Cg_endo -69.77 155.12 66.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.6 -74.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.603 ' CE ' ' CE1' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -129.62 146.48 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.603 ' CE1' ' CE ' ' A' ' 55' ' ' LYS . 36.8 m80 51.99 18.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.62 103.34 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.533 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -146.29 154.35 41.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.04 145.25 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.65 171.8 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -95.09 -0.57 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 6.9 mmmm -77.14 -41.15 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -53.64 -51.79 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 68.6 m-85 -74.11 147.78 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.5 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.29 -42.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -19.71 31.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 m -83.96 -16.87 42.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.52 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 81.2 m-85 -99.85 -174.67 2.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -125.94 33.16 5.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' CD2' ' CG ' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -37.45 -32.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 72' ' ' THR . 10.5 t -60.21 85.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 74' ' ' GLN . . . 100.86 103.04 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER 76.55 164.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.23 163.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' CG ' ' CD2' ' A' ' 71' ' ' LEU . 6.4 mtp180 -57.05 144.23 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ASP . 11.4 mtt-85 -148.1 126.34 12.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -79.85 116.19 19.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -66.08 137.68 57.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 ptm -56.54 -20.72 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.413 ' OD1' ' NH1' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -100.57 24.68 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -112.7 131.81 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.578 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.97 151.75 58.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 81.33 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.0 p -85.65 20.35 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.83 -69.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER 57.74 78.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' PHE . 16.9 m-20 -37.59 107.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -62.18 -168.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.2 t -166.01 -42.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.0 p -104.22 167.15 9.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -107.39 23.58 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 94' ' ' SER . 6.1 mt 50.13 38.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER 77.51 33.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.37 169.92 42.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.81 29.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 m 56.8 106.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -131.97 93.14 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -102.89 -12.29 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 173.29 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.24 76.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.41 108.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.79 138.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.6 -126.62 4.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.39 143.76 34.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 175.75 7.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.285 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 t 178.71 154.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -149.16 168.75 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.73 146.98 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' O ' ' NE ' ' A' ' 48' ' ' ARG . . . -94.77 -27.32 15.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 63' ' ' HIS . . . -51.38 155.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' NH1' ' A' ' 48' ' ' ARG . . . -99.35 141.53 32.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.81 21.42 79.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.6 t -114.79 -80.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.62 57.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -104.6 122.83 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.03 -66.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -119.64 127.05 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' OD1' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -149.28 165.81 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -67.85 -89.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -89.8 70.97 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.419 ' CG2' ' OD1' ' A' ' 22' ' ' ASN . 3.6 mm -131.4 100.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.541 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -98.13 9.4 42.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' ASN . 3.5 mt -34.76 148.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.22 154.51 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -97.49 105.88 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.9 m-70 -106.78 102.1 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 172.63 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.545 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 4.7 m-85 -77.27 156.17 81.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.512 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.82 127.1 14.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.273 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -5.38 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -88.16 143.99 33.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.842 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.77 29.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -66.4 -53.74 32.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 mtt85 -82.57 -40.54 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 27.9 ttp85 -36.73 -49.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -68.68 -36.06 78.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.3 mm-40 -62.59 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.529 ' CD1' HG13 ' A' ' 83' ' ' VAL . 15.9 m95 -46.44 -33.02 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 51' ' ' PHE . 21.3 t -86.64 -31.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -76.13 -20.92 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 84' ' ' PRO . 4.3 mt -83.14 -48.92 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 2.2 p -55.79 -24.19 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -4.67 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -42.18 159.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' PHE . 5.9 ttpp -62.45 77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' LYS . 29.7 m120 34.44 35.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.504 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.53 174.16 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.504 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -144.83 146.82 32.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.754 . . . . 0.0 111.096 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.431 ' N ' HG13 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.77 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.0 41.95 1.48 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 1.6 ttpt 179.2 -151.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.526 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -62.12 -11.1 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.545 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 94.8 m -44.01 114.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -146.41 148.97 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mt -113.74 133.29 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.92 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.2 p -101.93 -24.36 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -62.97 -25.1 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.519 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 96.0 m-70 -64.41 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 78' ' ' LEU . 21.9 m-85 -88.21 148.05 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 86' ' ' ILE . 2.1 mt-10 -60.95 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 -42.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.78 -10.74 50.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.73 -3.94 57.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -107.55 179.81 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -108.65 89.58 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -75.72 -35.51 60.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.459 ' O ' ' CG2' ' A' ' 72' ' ' THR . 4.7 t -84.05 41.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.23 53.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.26 -72.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -113.07 169.83 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 75' ' ' THR . 3.5 mtm180 -83.65 113.89 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ASP . 65.6 mtt-85 -126.05 134.6 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -60.91 115.74 3.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 1.4 mtpt -63.85 128.32 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 mtp -56.57 -13.72 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.462 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 35.9 t70 -105.61 32.75 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.36 158.68 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -136.62 151.25 72.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.177 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.56 ' HB2' ' CE2' ' A' ' 87' ' ' PHE . 54.1 Cg_endo -69.72 89.98 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.2 p -88.49 27.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.523 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER -146.0 132.93 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 84' ' ' PRO . 20.1 m-85 -168.78 172.85 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 60.7 110.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.07 149.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.1 m -122.44 -159.36 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 0.9 OUTLIER 63.24 121.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' CB ' ' O ' ' A' ' 91' ' ' THR . 1.2 t-80 77.35 113.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.6 mm -86.18 128.53 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -17.47 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.64 -79.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.21 50.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.88 -73.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.3 m 54.2 26.28 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -141.29 -43.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -72.62 -36.45 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.5 -166.18 12.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -125.15 104.09 8.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -51.27 141.9 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.07 -52.28 0.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.63 156.23 0.12 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 90.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -92.46 139.56 30.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.97 178.35 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -103.89 128.46 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -53.73 -47.36 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.433 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -37.02 107.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.41 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.68 52.18 3.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -151.68 159.74 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.17 36.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -86.24 118.98 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -131.55 -72.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.35 96.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.26 23.28 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.33 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -48.16 -59.02 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 157.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.78 18.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mt -42.88 133.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -76.79 154.36 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 49.4 p90 -102.77 113.24 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -110.7 103.56 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -59.32 169.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HG23 ' A' ' 57' ' ' THR . 4.0 m-85 -69.99 156.57 91.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 138.26 37.39 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.3 -11.03 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 146.42 53.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -38.26 7.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.8 mmt180 -83.1 -50.74 8.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -37.89 -55.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -34.53 77.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -66.78 -59.8 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 12.5 m95 -44.1 -45.0 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -73.53 -34.43 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -72.74 -23.26 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.69 -51.17 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 14' ' ' ALA . 2.7 p -57.03 -33.3 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 49.32 69.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 7.3 mmm-85 -90.79 -57.16 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 167.01 74.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 38.42 39.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -94.42 175.93 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.587 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -148.86 147.15 23.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 111.133 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.06 25.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.71 37.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.69 -93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -134.92 1.31 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.553 HG23 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -40.32 123.69 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -140.36 166.2 25.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.1 mt -138.01 141.21 40.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.5 m -60.37 163.56 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.4 p -91.46 -5.49 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -76.0 -27.97 57.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -64.78 -45.29 86.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 45.8 m-85 -77.06 142.76 39.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.76 -97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.54 -36.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -9.61 33.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 38.4 m -88.97 -8.82 53.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.815 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -110.98 172.06 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -104.69 95.93 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.52 -35.29 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 t -66.44 -10.03 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.34 -73.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -132.06 -151.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.88 145.99 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.8 mtt180 -121.35 131.67 54.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -71.84 120.77 17.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.433 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 mtpp -74.12 135.55 42.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ptm -56.83 -22.34 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.78 15.49 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.96 133.18 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -119.11 151.64 50.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 111.173 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 77.65 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -80.84 44.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 87' ' ' PHE . 2.5 mp -139.42 -84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 86' ' ' ILE . 4.0 m-85 45.29 82.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 89' ' ' PHE . 2.1 p30 -120.26 -161.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -123.61 95.91 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 p -118.04 175.49 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 t -169.86 32.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.37 73.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mm -105.25 75.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 p -107.85 -61.99 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.99 78.45 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 67.23 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.13 155.97 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.5 p -98.19 -39.15 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.467 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.18 5.54 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t 62.02 52.26 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.3 18.97 10.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -162.02 150.47 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -117.01 -28.66 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.26 133.18 11.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mtm -94.67 151.22 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 137.09 34.63 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 10' ' ' THR . 51.7 m -121.81 1.42 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.57 154.18 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.08 126.41 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.2 -24.79 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 103.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.59 -29.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.02 75.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.5 t -156.14 161.49 40.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.61 21.63 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.6 m -96.62 109.94 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -119.44 -53.36 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -154.7 -68.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 70.82 172.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.47 -34.84 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 26.8 p80 -115.23 59.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.98 148.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -11.43 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 mt -49.23 144.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -176.36 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 58' ' ' PHE . 18.6 m-85 -130.56 107.58 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 78' ' ' LEU . 98.2 m-70 -113.82 101.23 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -179.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' CE1' HG21 ' A' ' 57' ' ' THR . 5.8 m-85 -75.21 153.79 86.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 135.89 31.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -69.5 -17.9 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.0 144.46 72.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.48 10.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -57.62 -45.86 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.89 -48.32 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.75 -56.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.98 -39.57 95.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -58.72 -61.51 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 83' ' ' VAL . 13.2 m95 -40.96 -44.9 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.34 -28.29 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -78.51 -26.91 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -81.56 -46.72 14.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.7 p -57.27 -23.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.05 69.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -128.17 162.83 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 49' ' ' LYS . 5.6 mmpt? -59.05 -152.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -77.6 50.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -94.52 142.24 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 53' ' ' PRO . 1.1 t -127.4 145.63 55.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 53.4 Cg_endo -69.84 -166.65 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.229 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.33 19.35 9.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -148.18 -156.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -14.22 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.553 HG21 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -43.88 114.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -139.51 160.39 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.411 HD13 ' CE3' ' A' ' 42' ' ' TRP . 11.0 mt -124.55 139.94 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.0 m -63.71 169.36 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -90.14 -33.02 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -42.78 -42.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -55.62 -56.55 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -68.55 160.62 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.74 -97.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.69 -40.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -12.09 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -92.99 1.04 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.444 ' CE1' HD23 ' A' ' 78' ' ' LEU . 86.6 m-85 -119.3 -174.78 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.7 t70 -103.74 78.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -71.52 -33.51 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -77.97 0.91 22.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.19 170.88 19.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -40.66 -42.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -147.61 166.9 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 2.9 ttp180 -64.98 100.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.8 mtp180 -112.97 127.63 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -65.22 120.12 12.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.483 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 3.8 mtpt -71.43 137.32 48.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.7 mtm -60.63 -12.89 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.93 25.14 12.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.52 129.53 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.517 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -117.41 151.84 48.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.9 p -87.44 31.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mt -128.6 -79.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.69 -174.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.27 13.89 9.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -132.52 179.79 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.94 171.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -38.19 102.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -121.43 -73.3 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 pt -125.88 27.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.76 86.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.48 -178.49 15.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.49 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 71.52 70.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -132.68 98.73 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.454 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 38.75 31.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -100.45 111.68 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.5 93.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 3' ' ' SER . 1.4 m -69.76 75.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 -4.09 5.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.24 -27.8 73.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.64 149.06 23.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.54 0.686 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 73.12 1.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.31 146.48 48.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.25 168.3 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.87 131.7 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -59.31 -43.32 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' ALA . . . -34.45 137.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.52 105.16 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.11 -5.42 23.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.8 t -86.2 147.14 26.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -115.35 109.25 17.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -144.59 -65.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -117.91 -65.65 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 57.41 165.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -44.13 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -108.91 -81.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 58.63 152.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -144.5 9.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 28' ' ' SER . 1.9 mt -39.74 152.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -102.11 137.13 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.4 m-30 -85.09 108.13 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 94.5 m-70 -110.27 106.7 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -61.06 171.22 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 4.8 m-85 -64.33 156.2 77.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.503 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 141.63 45.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -75.6 -18.07 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -77.56 149.58 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.8 Cg_endo -69.79 -46.78 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -49.28 -50.43 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.3 mmt180 -79.1 -51.84 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -38.22 -49.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 9.0 mtpt -68.4 -37.77 80.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -63.42 -61.4 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.529 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 m95 -40.91 -47.95 3.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.2 t -68.51 -33.31 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -77.08 -21.94 53.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 7.3 mt -87.45 -47.46 8.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.87 -26.3 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.13 73.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.78 83.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.5 mttt 40.99 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.08 22.42 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -55.34 163.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.622 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -145.31 145.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.21 57.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 35.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -156.52 -92.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -5.66 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.415 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -38.83 116.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -137.07 164.0 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -136.81 139.32 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.6 m -62.37 -174.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -20.06 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -60.34 -21.99 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -77.56 -36.0 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.2 m-85 -98.78 136.26 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -62.72 -97.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.46 -40.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -8.44 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.45 -7.43 56.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 95.2 m-85 -110.94 -175.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' ARG . 1.1 t0 -117.56 93.38 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -98.93 -32.93 11.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 t -73.45 -0.23 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 74' ' ' GLN . . . -126.45 38.03 2.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 2.6 tp-100 78.84 139.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 t 43.37 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.38 110.93 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' ASP . 44.2 mtt180 -121.61 128.08 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.22 113.06 2.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -55.23 121.03 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.22 -18.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 35.99 2.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.2 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -124.88 151.95 69.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.654 0.74 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 89.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -79.56 3.0 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.8 122.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' CE1' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -142.26 -61.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.28 160.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 87' ' ' PHE . 4.1 m-85 -119.85 -51.74 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.4 t 72.06 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.9 m -48.0 110.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.54 166.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.1 141.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.05 -171.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.91 179.7 18.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.746 2.297 . . . . 0.0 112.327 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.19 100.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 m -126.2 -37.89 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.491 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -128.4 20.7 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -101.96 110.59 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 117.17 0.74 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -174.07 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.65 165.33 29.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.98 -146.01 16.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.95 144.22 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.44 3.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 m -59.7 151.08 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 1.3 p30 -154.96 169.69 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 15.0 t -34.73 141.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.12 -41.45 35.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.5 142.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.89 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.46 96.96 2.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.1 t -139.19 -61.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.65 78.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 m -155.37 121.88 5.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -108.96 -66.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ASN . 2.0 t80 -141.26 -41.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' TYR . 1.6 m-20 36.9 90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -74.41 -8.47 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.4 -3.35 49.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.8 mp -130.84 -46.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 25' ' ' ILE . 1.1 m-20 80.61 24.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.446 ' CD1' ' HD3' ' A' ' 62' ' ' LYS . 1.9 mt -38.17 143.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.79 165.43 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 6.3 m-85 -122.65 105.84 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 68.5 m-70 -112.23 104.82 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 160.77 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.446 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 15.6 m-85 -51.13 159.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.503 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.3 Cg_endo -69.79 173.16 11.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -112.47 1.51 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 151.37 41.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.69 37.72 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -79.02 -48.13 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -74.84 -42.16 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -45.8 -52.26 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.35 -33.12 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -59.11 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 13.7 m95 -52.84 -43.72 66.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.48 -28.91 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.78 -28.53 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 87' ' ' PHE . 5.3 mt -81.88 -28.52 32.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.568 ' HA ' ' CE1' ' A' ' 87' ' ' PHE . 8.4 p -85.21 -24.33 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 46.12 68.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' CD ' HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -108.81 32.32 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' PHE . 10.4 tppt? 73.86 64.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t30 38.46 30.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.74 174.61 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -130.05 145.08 55.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.141 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.446 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 54.1 Cg_endo -69.79 144.68 54.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -122.0 -81.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.13 -71.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -58.17 -37.19 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -41.0 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.31 170.44 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 17.3 mt -130.86 144.4 51.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.6 m -66.35 165.76 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -47.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' HD3' ' CD1' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -39.11 -31.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -56.8 -55.72 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' HD22 ' A' ' 78' ' ' LEU . 15.2 m-85 -66.96 153.65 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 86' ' ' ILE . 39.1 mt-10 -79.83 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.37 -39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -8.06 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 67.2 m -84.65 -4.35 58.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -105.59 176.6 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -96.82 69.5 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 73' ' ' GLY . 0.6 OUTLIER -62.95 -62.15 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.53 -22.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.177 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -75.22 -129.37 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.502 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.46 -44.05 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.75 154.55 44.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.4 90.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -112.42 130.95 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -66.76 115.0 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -68.85 147.41 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -40.08 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 14.7 m-20 -85.75 28.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . . . -109.11 125.63 52.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG13 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.9 150.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.78 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.1 p -85.09 47.57 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 83.4 mt -148.99 -91.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 46' ' ' VAL . 1.5 m-85 63.9 90.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.41 85.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -86.63 71.11 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER 76.94 94.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.46 7.13 28.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.73 167.83 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 pt -86.67 109.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 p -173.77 155.74 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.72 177.18 41.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.8 p -101.48 136.93 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 p -67.11 146.42 54.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.55 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m 44.38 35.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 p -106.24 -14.7 15.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.34 82.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -51.29 44.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -134.51 -167.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.46 42.02 2.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.28 146.31 0.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.549 0.69 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.93 4.32 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 34.3 p -53.88 154.32 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -109.1 159.16 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 59' ' ' LEU . 44.4 t -70.07 114.65 8.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -54.6 -18.53 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' ALA . . . -39.89 161.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 46' ' ' VAL . . . -102.99 33.09 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.46 50.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 37.7 t -125.39 -82.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . 83.38 100.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -124.71 6.29 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -47.31 123.23 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER 34.47 82.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -94.37 126.66 39.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 133.43 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 56.83 35.84 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -136.02 154.68 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 3.5 m-80 -144.92 30.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' CG1' ' HD3' ' A' ' 62' ' ' LYS . 1.7 mt -44.23 137.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 179.56 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 5.5 m-85 -127.66 103.62 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 94.9 m-70 -103.42 101.74 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.4 169.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.0 157.17 87.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.38 2.35 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.62 141.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.495 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 53.3 Cg_endo -69.76 -16.58 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -75.46 -41.71 54.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 26.7 mmt180 -93.53 -41.08 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -38.3 -36.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -79.41 -45.44 19.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -53.62 55.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.646 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 14.1 m95 -50.47 -58.44 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' CG1' ' NE ' ' A' ' 48' ' ' ARG . 23.6 t -60.76 -20.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -86.77 -20.11 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 3.9 mt -87.31 -41.75 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -50.12 -33.8 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 75.46 28.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -74.22 -152.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.478 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 6.0 mtpt -131.61 81.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 51.42 46.63 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -96.48 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.2 t -155.53 145.54 15.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.723 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' HA ' ' CG2' ' A' ' 57' ' ' THR . 53.7 Cg_endo -69.79 138.75 38.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.17 -74.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 -45.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.317 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -110.7 56.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.04 118.47 34.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -148.6 173.62 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 6.0 mt -139.7 130.78 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 10.3 m -39.97 160.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.546 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.3 p -90.94 -38.71 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -34.36 -52.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.2 m-70 -49.06 -60.76 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.646 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 73.6 m-85 -58.17 146.78 32.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -94.69 -170.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.58 56.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.44 -0.27 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.1 m -109.05 -9.96 15.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 65' ' ' GLU . 55.5 m-85 -106.61 174.14 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.54 -55.4 3.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.2 t -56.87 80.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.93 -32.31 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.22 175.99 9.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -49.22 165.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 104.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -126.5 125.64 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -67.1 113.61 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.2 mtpp -59.86 131.98 52.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -21.6 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.07 34.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.52 141.48 51.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.608 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -120.26 151.04 52.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 64' ' ' PHE . 54.0 Cg_endo -69.75 92.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.9 p -74.51 4.97 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.7 OUTLIER -134.31 149.68 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -164.01 -66.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.43 -46.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.19 175.65 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.1 t 63.02 117.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -136.49 -71.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.9 101.39 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -98.85 52.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 m 57.0 83.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . -157.22 50.92 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.421 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.1 Cg_endo -69.82 -2.05 9.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -88.7 -84.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 p -111.84 157.52 20.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.479 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -78.32 -32.64 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.57 114.76 29.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.14 -90.53 1.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t 61.5 93.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.99 172.86 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.41 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.78 151.28 73.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.627 0.727 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 131.21 20.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -109.92 132.71 53.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -138.17 178.63 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.3 t -86.9 137.2 32.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.14 -2.27 50.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.76 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.09 101.67 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 79.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -138.1 -75.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.51 90.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -108.59 6.94 26.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -34.91 -78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 88.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' HIS . 15.8 m-20 -100.3 90.19 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' HIS . 40.4 mttt -55.64 86.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 24' ' ' HIS . 9.0 t-160 36.83 64.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.5 mt -90.91 -85.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ILE . 7.0 m-20 158.08 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mt -48.8 147.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.47 171.97 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 43.5 p90 -117.46 104.48 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -113.45 103.19 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 173.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.44 156.76 91.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.77 138.56 38.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -14.69 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -80.4 147.11 63.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.61 8.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -57.87 -47.75 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 29.0 mmt180 -83.35 -47.67 11.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -40.18 -50.82 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.28 -32.77 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -68.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.55 ' CD1' ' HG3' ' A' ' 33' ' ' PRO . 16.5 m95 -39.21 -33.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -86.13 -35.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -71.86 -22.91 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.67 -48.34 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 87' ' ' PHE . 6.6 p -59.9 -11.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER 82.65 -47.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.96 93.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' ARG . 2.5 mtpt -76.27 -46.36 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -77.3 49.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -150.24 153.5 36.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -150.46 144.68 17.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.151 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -171.04 -150.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.9 124.22 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -146.42 166.51 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 mt -132.63 139.6 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.1 m -63.21 163.69 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.89 -12.85 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -62.3 -45.87 91.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -56.55 -47.03 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 60.3 m-85 -62.96 170.45 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -95.61 -14.84 23.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.553 ' HA ' ' CD1' ' A' ' 69' ' ' PHE . . . 75.98 -7.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.74 0.0 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -107.18 3.15 25.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CE1' ' CD2' ' A' ' 78' ' ' LEU . 4.1 m-85 -80.54 -178.83 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.1 t0 -103.82 93.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.92 -23.64 11.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -19.96 63.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.69 -80.34 1.26 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -119.38 -150.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t -55.17 161.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 100.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' ASP . 49.6 mtp85 -119.1 128.25 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.568 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -63.85 111.33 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 68' ' ' CYS . 1.5 mttp -58.41 137.12 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -7.13 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.6 18.14 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 68' ' ' CYS . . . -105.79 141.81 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -129.65 151.82 78.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 88.62 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 p -78.12 6.97 6.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 87' ' ' PHE . 1.6 mp -124.55 161.08 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 m-85 174.49 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 85.13 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.92 115.52 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 68.06 97.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.48 -20.4 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.09 149.76 31.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.38 122.65 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.79 148.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.77 -65.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.64 4.18 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.07 13.97 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 m -116.88 178.78 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -158.98 153.77 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -166.69 66.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.18 160.14 21.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.87 93.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.04 100.81 2.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.45 -179.83 18.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtm -45.94 151.86 0.83 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.29 3.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.55 151.65 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -146.47 150.78 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -78.54 131.77 36.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.74 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . . . -69.5 103.49 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.4 164.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.53 -46.57 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.97 -80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.83 65.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.25 133.76 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -124.96 -171.74 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -59.37 -56.61 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 75.67 -159.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -90.34 -9.2 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -151.77 -94.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.433 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 16.1 mm 59.69 150.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 18.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mt -74.78 131.93 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -72.89 136.24 45.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 24.4 p90 -94.43 114.82 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -114.37 96.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 164.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 8.7 m-85 -56.46 158.96 7.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.83 151.85 68.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.85 -14.13 42.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 149.35 54.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -38.63 7.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -55.94 -43.57 77.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.9 mmt180 -85.99 -49.44 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.9 ttm180 -37.17 -53.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.44 -32.7 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.9 mt-10 -65.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' CD2' ' HD3' ' A' ' 33' ' ' PRO . 13.0 m95 -42.72 -46.2 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.25 -31.62 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -32.28 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -75.9 -38.46 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG23 ' CD ' ' A' ' 48' ' ' ARG . 14.2 p -77.48 -30.93 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 50.0 64.37 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -110.49 35.7 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER 82.04 -164.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -78.38 46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.52 158.15 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -138.57 144.37 42.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.9 Cg_endo -69.77 73.85 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.32 -12.41 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -121.34 -170.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -59.56 82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 32' ' ' PHE . 3.5 m -136.48 123.29 21.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -142.37 161.76 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.75 138.02 53.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.4 m -63.09 143.17 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -27.83 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -59.4 -37.64 78.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 24.5 m-85 -88.6 146.51 25.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CG ' HD13 ' A' ' 86' ' ' ILE . 3.1 mm-40 -73.37 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.45 -38.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 m -61.22 -13.7 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 55.8 m -87.38 -0.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -121.52 175.71 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -108.16 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER -67.33 -70.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -37.23 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 72' ' ' THR . . . -63.36 161.28 34.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.31 -39.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t -151.02 154.63 37.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 3.3 ttp180 -57.21 101.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -112.43 128.2 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.7 OUTLIER -66.2 113.07 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 4.3 mtmt -53.43 130.6 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -18.6 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.38 32.91 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.29 134.03 55.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.491 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.21 151.33 44.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 53.8 Cg_endo -69.71 90.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.406 ' C ' HG13 ' A' ' 86' ' ' ILE . 41.1 p -58.26 -11.27 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.433 HD13 ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -133.89 -152.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 14' ' ' ALA . 0.1 OUTLIER 167.99 -64.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 71.51 123.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 7.8 p90 -94.19 148.31 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.2 m -102.52 160.19 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -166.8 155.21 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -42.37 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -96.77 132.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.91 61.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.99 159.14 8.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.0 117.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -104.56 -4.72 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.508 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -131.55 -167.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.24 -164.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.26 42.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.04 173.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.88 165.73 32.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.04 69.97 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.97 148.13 31.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.715 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 133.33 25.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.25 . . . . 0.0 112.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m 72.08 136.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.92 153.92 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.5 132.15 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NH1' ' A' ' 48' ' ' ARG . . . -76.83 -19.85 57.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 46' ' ' VAL . . . -56.46 124.21 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.52 120.55 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.18 23.23 25.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 t -123.27 -66.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.87 105.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.24 127.23 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.49 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -138.1 -41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 t30 60.4 -88.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.2 -42.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -149.19 22.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.6 139.49 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.38 15.55 6.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.1 138.78 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -68.82 164.15 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.547 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 15.8 p90 -121.52 106.36 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -114.79 96.42 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.64 177.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.78 155.92 91.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.28 -25.32 54.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 147.06 88.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -42.94 3.02 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.405 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -46.8 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.9 mmt180 -83.15 -52.34 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 10.3 ttt180 -37.54 -52.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.92 92.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -60.98 -57.57 12.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.539 ' CH2' ' CZ ' ' A' ' 64' ' ' PHE . 15.6 m95 -46.01 -38.28 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 t -80.63 -26.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.4 35.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 mt -88.19 -38.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 14' ' ' ALA . 5.8 p -67.06 -15.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 74.52 47.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' O ' ' A' ' 13' ' ' ALA . 19.2 mtt180 -149.02 56.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.35 -27.7 62.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -68.17 -15.83 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -104.07 166.64 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.571 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -158.94 145.24 12.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.55 -35.17 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.61 -94.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -132.3 -0.52 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' HIS . 3.7 m -36.89 125.45 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -141.42 175.48 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 11.2 mt -136.76 142.28 43.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 m -59.91 166.48 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.0 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -42.22 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -50.46 -57.33 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 65.1 m-85 -71.35 141.56 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.56 -97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.94 -37.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 m -60.46 -16.18 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -6.96 57.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 64' ' ' PHE . 83.9 m-85 -117.26 175.6 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -104.61 101.34 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -93.31 -69.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.8 t 34.16 33.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 61.69 84.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER 171.15 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.879 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.7 t -126.09 -153.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 3.2 ttp180 -150.59 96.72 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -108.99 128.39 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.542 ' CD1' ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -66.69 111.79 3.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 1.5 mtpp -67.48 137.35 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.4 mmm -59.02 -22.72 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -96.15 18.99 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -106.95 132.15 53.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.48 151.39 56.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 80.67 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -88.89 29.48 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.04 -68.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 41.82 65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.34 -165.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -110.7 159.01 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.58 62.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -74.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -87.45 130.89 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -140.52 -58.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.95 68.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.81 72.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -177.74 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.3 t30 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.831 0.348 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 20.1 t -104.38 135.37 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.755 ' HB1' ' NH2' ' A' ' 48' ' ' ARG . . . -69.18 -37.21 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.839 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -40.98 157.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.43 145.06 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.98 29.11 73.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -103.71 158.53 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.94 51.61 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 20' ' ' THR . 55.9 m -115.8 139.21 50.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -168.22 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.0 t80 176.9 87.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.412 HD11 ' CD ' ' A' ' 62' ' ' LYS . 6.7 mt -62.51 144.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.94 139.2 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 40.7 p90 -88.68 108.81 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 77.4 m-70 -115.05 105.18 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 9.1 m-85 -78.61 154.29 78.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.83 135.82 31.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -70.28 -11.25 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -83.37 144.57 46.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 110.836 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.76 -36.14 11.36 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -59.18 -45.18 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.19 -49.16 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 3.2 ttm180 -37.16 -56.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -62.9 -39.32 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -58.51 -57.92 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 83' ' ' VAL . 11.3 m0 -47.24 -46.81 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HA ' HG12 ' A' ' 46' ' ' VAL . 77.1 t -71.87 -34.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.488 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 ' HG2' ' A' ' 84' ' ' PRO . 8.0 mt -93.76 -44.7 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.4 p -54.19 -16.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.06 74.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.755 ' NH2' ' HB1' ' A' ' 13' ' ' ALA . 12.1 mtm180 -151.0 73.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 48.76 -170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -85.33 25.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -52.94 162.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -134.81 145.38 54.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' A' ' 57' ' ' THR . 54.0 Cg_endo -69.71 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.57 -31.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.97 144.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 62.2 16.5 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -92.96 101.8 14.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.615 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -144.36 160.96 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 58' ' ' PHE . 27.7 mt -129.43 144.42 51.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -71.76 154.5 41.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -75.17 4.64 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' CD ' HD11 ' A' ' 27' ' ' ILE . 41.5 mtpt -86.22 -26.73 24.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 42.5 m-70 -83.07 -11.67 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 57.2 m-85 -101.8 147.23 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 60.9 mt-10 -66.08 -5.21 9.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.69 -48.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -15.82 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 2.53 30.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 7.1 m-85 -85.87 -176.54 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.6 t70 -103.24 59.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 76' ' ' ARG . 12.0 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.481 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 ttp180 -168.79 83.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mtt180 -106.19 126.63 52.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -53.03 113.83 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 78' ' ' LEU . 26.4 mtpp -60.97 135.73 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.7 mtm -64.87 -6.59 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.75 20.18 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -101.14 170.96 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -160.31 151.63 16.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.618 0.723 . . . . 0.0 111.124 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.652 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.5 Cg_endo -69.79 92.2 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.3 p -68.37 -10.75 57.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -131.65 -170.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.712 HD21 ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.06 134.48 36.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -59.63 -34.33 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -47.15 140.37 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.58 -10.6 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.47 63.87 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -155.1 -68.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.72 36.06 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 137.66 47.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.5 -75.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.31 148.12 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 60' ' ' CYS . 8.1 mt -40.63 143.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.29 144.07 25.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 22.1 p90 -96.85 111.7 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 94.5 m-70 -116.18 98.07 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.88 176.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CD2' ' HG3' ' A' ' 53' ' ' PRO . 4.5 m-85 -69.89 156.49 91.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.82 140.06 41.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -72.92 -14.39 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.22 147.9 54.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.88 2.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -46.96 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 55.4 mmt-85 -83.49 -49.66 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.58 -54.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -61.32 -34.88 75.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' VAL . 8.7 mm-40 -68.41 -63.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.721 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.4 m95 -38.8 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 51' ' ' PHE . 60.9 t -89.49 -39.36 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -68.2 -37.2 80.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.9 mt -66.76 -56.31 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.735 HG23 ' HA ' ' A' ' 14' ' ' ALA . 4.5 p -55.73 -16.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 42.52 78.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.7 mmm180 -112.57 -11.36 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 61.13 128.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' LYS . 36.2 t30 36.93 56.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -138.06 151.51 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -163.47 144.47 7.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.83 175.78 7.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.17 35.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.628 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 1.1 ttpt -169.24 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.628 ' CD2' ' HG2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -123.55 -5.79 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -37.59 122.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -148.15 166.23 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -132.31 140.2 48.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 27' ' ' ILE . 10.4 m -64.81 155.62 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -87.32 -15.42 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 1.3 ptmm? -57.07 -39.09 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' HD13 ' A' ' 86' ' ' ILE . 50.2 m-70 -67.91 -43.75 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HA ' HD13 ' A' ' 86' ' ' ILE . 32.8 m-85 -60.71 165.68 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 2.9 mm-40 -87.77 -13.45 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 77.48 -9.46 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.4 0.96 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.13 -0.49 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.738 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -81.8 179.19 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -119.3 102.21 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.716 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.14 104.51 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' ASP . 20.4 mtt180 -118.33 125.45 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.738 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -68.69 120.68 15.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.733 ' N ' HD13 ' A' ' 78' ' ' LEU . 22.3 mtpp -71.22 127.22 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -15.06 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.71 9.41 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -101.61 156.17 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -141.57 151.04 59.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.131 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.842 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.81 77.01 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.5 p -88.13 42.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.56 HD11 ' HG2' ' A' ' 65' ' ' GLU . 2.9 mp -139.69 -73.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.6 136.92 49.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . . . -82.4 -29.95 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.713 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.59 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -42.64 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.26 -45.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 6.0 t -77.83 156.92 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.76 115.95 10.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.85 135.04 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -128.07 171.18 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' THR . 31.9 t80 -35.82 -53.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.773 0.321 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.799 HD11 ' HD2' ' A' ' 62' ' ' LYS . 8.7 mt -53.99 134.51 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.33 131.19 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 42.8 p90 -80.3 103.99 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 97.5 m-70 -106.17 99.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.76 171.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 57' ' ' THR . 10.7 m-85 -64.43 154.25 84.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.73 145.16 56.49 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -77.79 -17.94 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.09 145.41 60.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.05 17.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -42.03 96.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 30.1 mmt180 -88.89 -47.85 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -37.4 -49.07 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -70.3 -38.63 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.633 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.46 -57.88 10.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -47.02 -45.34 21.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 51' ' ' PHE . 21.7 t -74.85 -25.13 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -82.76 -20.75 35.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.4 mt -90.81 -24.91 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 14' ' ' ALA . 7.8 p -88.26 -10.76 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 39.07 74.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 51' ' ' PHE . 2.3 mtp85 -117.85 30.51 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.08 -155.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.18 52.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.5 150.06 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -128.29 144.37 51.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 111.138 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.3 Cg_endo -69.78 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 -85.03 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 5.7 ttpt -139.24 146.47 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.536 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER 74.6 -1.09 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.79 113.15 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -142.42 166.52 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 10.1 mt -132.39 139.63 48.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 16.0 m -66.91 138.05 57.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.4 p -66.38 -30.98 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.799 ' HD2' HD11 ' A' ' 27' ' ' ILE . 2.6 mtpt -44.02 -45.8 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 42.2 m-70 -60.27 -39.95 88.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 26.5 m-85 -66.04 167.12 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -83.96 -14.77 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.51 -11.5 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -0.05 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.413 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.93 -2.37 29.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.797 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -79.91 179.38 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -125.8 84.18 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD22 ' HG3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.731 0.301 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.767 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -87.08 98.0 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASP . 52.4 mtt-85 -106.35 126.95 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.797 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.95 123.51 23.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.789 ' N ' HD13 ' A' ' 78' ' ' LEU . 33.3 mttm -67.08 123.52 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.8 mtm -53.26 -16.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.04 22.35 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -110.82 141.51 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -126.26 151.88 72.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 111.153 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.611 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.7 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -79.76 10.07 4.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -141.26 126.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 11' ' ' ASN . 19.4 t -100.52 134.4 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.69 -18.79 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -53.96 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.04 -89.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.97 87.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.4 t -142.3 154.27 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.46 48.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 HG21 ' SG ' ' A' ' 60' ' ' CYS . 3.5 m -115.38 114.62 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -163.14 -51.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -139.68 97.18 3.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.331 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mt -44.61 149.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 p -98.38 176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 23.8 p90 -125.31 106.67 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 95.6 m-70 -105.69 96.82 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -53.78 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.91 154.74 86.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 140.49 42.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -76.54 -9.86 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 147.89 47.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -38.53 7.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -57.95 -47.63 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.6 mmt180 -82.17 -47.51 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 ttt180 -39.8 -52.44 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.69 -30.3 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.9 mm-40 -69.71 -62.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.742 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.3 m95 -43.28 -31.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 51' ' ' PHE . 42.5 t -88.76 -34.12 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -73.79 -21.23 60.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -85.05 -54.49 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -54.04 -15.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 35.3 77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 7.5 mmm180 -123.64 30.16 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 78.56 -153.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 17.9 t30 -76.35 54.36 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.62 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -98.78 139.14 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.04 146.22 60.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.1 Cg_endo -69.78 129.67 17.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.92 -76.82 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -81.79 60.77 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 106.32 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -139.1 161.9 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 9.1 mt -132.99 141.0 48.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 19' ' ' THR . 15.0 m -64.12 144.01 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -26.35 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -48.97 -38.06 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.1 m-70 -68.17 -37.79 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.8 m-85 -68.88 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -83.71 -14.78 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.6 -11.69 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 t -80.93 0.11 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.04 0.72 38.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.802 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -82.3 179.9 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -103.66 99.84 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HE ' ' A' ' 76' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.614 ' HE ' HD21 ' A' ' 71' ' ' LEU . 2.8 ttt180 -56.87 102.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.1 mtt180 -126.45 128.96 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -62.0 111.84 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.9 mtpp -56.7 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mtm -64.82 -6.63 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.76 20.26 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.434 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -106.83 151.37 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -135.74 151.25 73.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.714 . . . . 0.0 111.114 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.811 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 90.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -73.44 2.85 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -127.43 150.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 46' ' ' VAL . 1.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -86.86 116.98 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.94 -41.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.659 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.19 129.23 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.11 -131.17 3.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 5.4 t 56.16 162.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.64 73.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.509 HG21 ' SG ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -120.65 133.44 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.2 -90.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -124.98 -61.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.17 139.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 m -82.72 168.07 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 9.6 m-85 -118.25 107.07 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 75.7 m-70 -110.7 104.22 12.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.58 177.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.12 155.13 93.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.8 143.82 51.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.662 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -78.88 -15.47 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.92 145.56 57.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.95 22.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.19 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.1 mmt180 -86.57 -46.87 9.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -39.56 -53.77 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -65.8 -27.05 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -72.18 -63.83 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.774 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -39.83 -45.26 1.75 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 51' ' ' PHE . 59.6 t -70.16 -33.97 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -78.87 -19.99 50.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 84' ' ' PRO . 13.0 mt -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -53.67 -21.86 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 65.74 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -147.97 -39.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tttm 67.14 -72.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 58.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -153.93 162.58 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.535 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -160.67 145.54 10.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.107 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.59 -76.01 1.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.601 ' CG ' ' CE1' ' A' ' 56' ' ' HIS . 5.4 ptmt -164.96 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -89.75 -1.73 58.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.6 m -84.6 129.57 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -145.34 172.18 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 7.3 mt -130.41 133.41 46.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 19' ' ' THR . 12.7 m -60.26 155.36 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p -90.22 -16.54 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -56.77 -39.93 74.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -66.25 -48.69 69.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 86' ' ' ILE . 19.0 m-85 -49.78 170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 42.1 mt-10 -91.28 -14.14 31.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 76.76 -8.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.23 0.63 35.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.482 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.62 -5.13 24.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.875 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -79.76 164.75 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -95.89 80.9 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.785 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 76' ' ' ARG . 9.0 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.801 0.334 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.46 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mtm180 -116.85 110.07 17.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.99 129.34 55.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.875 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -68.46 117.23 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.684 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.3 mttm -51.33 127.36 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -7.51 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.24 12.84 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -92.61 157.89 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -144.25 150.65 49.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.183 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.646 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.77 92.63 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 p -89.75 51.23 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -148.32 -93.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 8.0 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' CYS . 11.3 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 48.6 t -35.96 121.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -25.13 68.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.731 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -51.1 100.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.17 109.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.73 34.47 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.0 t -144.13 -76.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 68.22 76.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.27 131.42 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -116.04 -84.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -125.16 140.94 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 mt -47.5 140.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -101.86 143.73 31.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 51.4 p90 -86.3 112.58 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 77.0 m-70 -112.42 95.4 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -53.61 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-85 -79.74 153.42 75.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.7 0.762 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.85 148.71 65.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -82.52 -9.71 59.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -86.04 145.21 40.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.2 Cg_endo -69.81 -31.01 21.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -64.88 -42.33 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.6 mmp_? -87.68 -49.19 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.5 ttt180 -38.54 -50.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -65.42 -35.23 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -65.9 -62.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.77 ' CD1' HG12 ' A' ' 83' ' ' VAL . 19.5 m95 -40.14 -36.94 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG13 ' CD2' ' A' ' 51' ' ' PHE . 42.2 t -86.43 -32.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -72.87 -20.51 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.0 mt -88.26 -52.72 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.731 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -50.98 -20.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 63.82 68.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -138.64 95.49 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 144.16 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.61 31.51 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD2' HG13 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -132.45 138.22 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.53 144.46 53.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 147.63 63.09 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.51 -97.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -123.18 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 5.6 m80 79.19 -54.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -36.67 116.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -144.86 170.03 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 18.3 mt -131.82 144.26 50.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.5 m -67.55 151.91 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 5.3 p -84.79 -18.33 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -56.44 -39.4 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.441 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 45.1 m-70 -64.75 -47.84 76.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -54.05 165.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.733 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -83.97 -14.79 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.56 -11.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -0.05 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.91 -4.53 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.8 m-85 -79.48 166.75 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.4 t0 -97.57 87.97 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.755 0.312 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -66.83 97.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.6 mtt-85 -113.44 130.1 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.871 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.1 tm? -62.43 119.57 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.716 ' N ' HD13 ' A' ' 78' ' ' LEU . 13.9 mttt -55.68 119.36 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mtm -52.77 -17.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -100.11 22.05 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -108.72 149.22 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -132.44 152.19 79.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.649 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.3 Cg_endo -69.79 69.97 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.9 p -82.12 41.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 65' ' ' GLU . 12.1 mt -139.94 -81.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 35.4 t -81.19 119.89 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.76 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -55.59 124.49 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 127.9 33.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.75 60.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 46.6 t -111.32 116.2 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.74 76.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.63 132.68 36.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.8 p -149.93 -89.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -58.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 62' ' ' LYS . 1.3 mt -34.39 149.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -86.42 173.08 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 11.7 p90 -125.14 107.79 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 96.3 m-70 -114.61 105.1 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.1 155.19 74.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.733 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.78 137.69 35.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.78 -16.42 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.65 143.95 68.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -33.97 15.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.1 -43.47 98.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 61.7 mmt-85 -87.56 -49.62 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.4 ttm180 -36.72 -53.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 4.8 mmmm -65.89 -39.99 91.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -53.52 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.727 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.2 m95 -52.27 -43.41 64.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 51' ' ' PHE . 22.3 t -76.19 -28.4 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -79.17 -23.76 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.9 mt -87.39 -40.8 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 42' ' ' TRP . 4.0 p -70.3 -17.95 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 36.55 85.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -145.78 92.02 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt 47.37 32.67 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 39.9 30.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.808 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.3 OUTLIER -54.03 -173.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.602 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -139.13 145.74 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 111.171 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' HG21 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.71 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.16 44.55 3.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' THR . 1.2 mttt -178.32 -173.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -40.42 -28.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.808 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -36.05 121.89 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -146.64 171.44 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.3 mt -134.63 137.71 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' HB3' HD13 ' A' ' 27' ' ' ILE . 31.9 m -55.62 163.15 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -9.62 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' A' ' 27' ' ' ILE . 52.3 mttt -71.01 -41.42 70.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -56.89 -31.45 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.7 m-85 -93.68 160.12 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.775 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -99.56 -165.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.19 -25.54 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -1.88 36.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 8.4 m -100.46 -6.64 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 78' ' ' LEU . 74.9 m-85 -108.81 178.94 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -123.77 85.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.796 ' H ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.786 0.327 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' N ' ' OG1' ' A' ' 75' ' ' THR . 5.9 mtm180 -103.39 117.62 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ASP . 19.4 mtt180 -129.33 126.65 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -68.47 112.67 5.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 78' ' ' LEU . 11.9 mtpp -55.88 139.21 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -10.65 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.88 25.43 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.76 133.23 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.59 151.57 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.784 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.73 91.14 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.0 p -88.57 -11.52 45.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.775 HD11 ' HG3' ' A' ' 65' ' ' GLU . 3.4 mt -90.17 -67.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 84' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.5 129.4 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 51' ' ' PHE . . . -67.71 -31.88 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -35.98 138.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.83 108.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.35 72.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 t -148.77 -64.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 19' ' ' THR . . . 63.13 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 83.39 6.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 p -43.18 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.18 134.44 53.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 28' ' ' SER . 8.1 mt -79.1 139.78 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.416 ' O ' HG22 ' A' ' 27' ' ' ILE . 15.5 m -80.36 177.22 9.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 18.7 p90 -127.3 108.38 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 86.3 m-70 -114.62 97.12 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 6.6 m-85 -67.91 156.89 88.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.73 139.81 41.25 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -73.82 -11.59 60.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.33 146.23 44.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 0.0 110.891 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -56.4 -43.4 79.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -85.27 -50.08 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.69 -51.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -64.41 -39.71 94.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HB3' HG11 ' A' ' 83' ' ' VAL . 2.2 mm-40 -60.05 -59.43 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.876 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -44.76 -54.41 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG13 ' HD1' ' A' ' 51' ' ' PHE . 41.1 t -62.39 -23.68 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -90.6 -20.12 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.7 mt -88.55 -41.4 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.3 p -61.61 -29.97 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.72 85.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -143.67 155.71 44.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -96.71 125.9 41.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 48.95 36.66 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -100.99 155.92 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -176.43 144.64 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.7 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.294 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.59 -39.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 3.4 tttp -169.91 125.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 1.8 m170 77.66 -0.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.557 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -83.56 115.46 22.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -147.3 163.97 34.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 59' ' ' LEU . 11.7 mt -127.07 137.25 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.2 m -55.71 167.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.0 p -96.68 -17.41 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -61.73 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -64.21 -60.38 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.78 150.79 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -76.39 -97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.825 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -150.12 -38.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -10.49 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 1.6 m -88.03 -0.36 56.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 92.2 m-85 -114.17 -178.84 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.5 t70 -103.71 75.96 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -113.35 96.3 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASP . 57.1 mtt180 -112.45 130.06 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -62.88 110.89 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.7 mtpp -49.7 130.85 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mtp -59.17 -11.9 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.43 28.79 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -108.85 139.56 43.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.3 151.13 58.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.699 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.8 88.46 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -91.37 19.7 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.79 -65.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 34.8 t -49.03 108.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -34.42 -43.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -46.3 143.53 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.24 -56.97 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.58 61.97 4.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.67 153.8 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.57 34.79 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -92.89 114.48 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 p -137.25 -70.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -96.73 -77.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.9 134.24 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -105.96 177.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 3.5 m-85 -119.2 105.45 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CD2' ' CB ' ' A' ' 78' ' ' LEU . 13.2 m80 -114.75 102.26 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.74 179.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.84 155.77 84.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.694 0.759 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.2 Cg_endo -69.76 151.73 69.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -83.44 -22.65 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -73.73 148.5 87.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.75 -39.55 6.4 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.58 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 11.5 mmp_? -85.74 -50.75 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 ttt-85 -37.25 -52.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 10.9 mtpt -66.8 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -64.3 -61.55 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.3 m95 -41.13 -34.68 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 13.6 t -84.91 -30.7 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.5 ttm-85 -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.4 mt -82.36 -49.6 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.6 p -50.6 -18.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 37.8 mtt180 77.25 40.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -105.73 -74.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER 77.15 -52.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.87 23.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.13 150.4 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.46 145.4 43.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.15 4.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 55' ' ' LYS . . . -116.97 53.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER 79.92 -53.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -80.3 44.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.416 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -126.2 123.77 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.1 150.38 34.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -125.0 138.82 54.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.2 m -57.23 171.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -97.25 -24.43 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -55.21 -38.03 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.573 ' O ' HD13 ' A' ' 86' ' ' ILE . 36.0 m80 -56.88 -53.52 57.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 92.3 m-85 -70.21 129.49 39.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.54 -97.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.99 -39.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 p -59.7 -10.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.544 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -85.82 -15.46 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -106.62 157.73 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.25 102.7 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.99 125.66 23.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -128.86 128.7 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' CB ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -60.04 110.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.1 mtpm? -67.69 136.26 54.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 ptp -56.39 -24.27 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.07 20.72 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -103.67 131.93 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.77 151.59 60.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 86.64 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -78.42 8.11 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 63' ' ' HIS . 1.1 mp -135.72 151.62 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 37.4 t -46.14 129.01 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.937 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -69.15 -40.17 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.79 121.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 98.15 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.92 39.35 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 t -130.81 -72.8 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 81.4 118.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -170.96 130.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -141.82 -89.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.3 159.8 35.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' A' ' 60' ' ' CYS . 3.1 mt -63.41 142.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.8 p -78.98 -179.5 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 44.8 p90 -132.41 109.64 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -116.23 98.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.6 175.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE1' HG22 ' A' ' 57' ' ' THR . 7.1 m-85 -68.12 156.11 90.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.79 140.46 42.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.64 -19.83 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -78.74 148.45 72.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.72 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -47.63 -42.93 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.4 mmt180 -86.73 -52.07 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -36.63 -56.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -62.56 -34.15 76.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -63.88 -59.4 4.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.685 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.8 m95 -46.42 -41.24 13.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 15.1 t -75.42 -31.56 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.54 -26.48 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 84' ' ' PRO . 10.3 mt -85.49 -24.38 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 42' ' ' TRP . 9.0 p -96.64 -27.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 67.22 -72.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 35.56 33.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ARG . 17.6 mmtp 65.61 -152.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -76.91 51.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -89.0 159.95 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -149.65 146.38 20.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 85.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.84 -55.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -87.88 -169.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 83.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.937 HG23 ' HB2' ' A' ' 13' ' ' ALA . 5.9 m -126.64 126.38 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -144.28 172.42 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.1 mt -130.29 135.62 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' HD13 ' A' ' 27' ' ' ILE . 29.3 m -58.26 163.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -5.77 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 2.0 ptmt -73.43 -30.74 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 90.2 m-70 -62.6 -52.54 62.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 74.7 m-85 -70.49 -178.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 mm-40 -108.08 -97.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -156.37 -41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.3 m -60.52 -10.49 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.772 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 37.4 m -91.03 0.0 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.802 ' HB2' HD11 ' A' ' 71' ' ' LEU . 50.8 m-85 -113.28 -177.77 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.405 ' C ' HD13 ' A' ' 71' ' ' LEU . 2.1 t0 -100.88 77.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.729 0.3 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -64.37 97.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 48.1 mtt-85 -116.64 128.89 55.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -59.59 111.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.569 ' N ' HD13 ' A' ' 78' ' ' LEU . 15.5 mtpp -54.58 134.02 46.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -17.52 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -111.38 27.28 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.73 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.685 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.15 151.55 45.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 111.101 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.704 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.81 84.09 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.411 ' C ' HG13 ' A' ' 86' ' ' ILE . 43.4 p -85.78 38.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HG3' ' A' ' 65' ' ' GLU . 7.3 mt -150.43 -69.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 10.9 t -106.0 125.43 50.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -46.93 139.31 5.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.03 128.47 35.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.8 33.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.432 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -120.91 -68.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.95 82.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.43 135.36 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -141.44 -157.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -60.98 -32.78 72.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -37.03 143.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.48 157.37 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -103.08 110.89 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 91.5 m-70 -116.16 97.33 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -178.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 11.5 m-85 -72.03 156.34 90.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 147.45 62.74 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -81.14 -9.82 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.67 40.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.91 17.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.67 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLU . 4.9 mmp_? -87.43 -50.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -36.51 -53.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -64.67 -37.52 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HB3' HG11 ' A' ' 83' ' ' VAL . 8.0 mm-40 -63.43 -56.44 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.1 m95 -45.99 -47.52 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.95 -22.49 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -87.83 -22.31 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 84' ' ' PRO . 5.4 mt -87.8 -15.79 35.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 46' ' ' VAL . 7.6 p -97.49 -12.25 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.03 79.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 6.7 mmm180 -122.56 127.35 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -63.26 124.87 22.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 38.81 57.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 18.1 t80 -116.49 161.43 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.509 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -169.93 145.05 2.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.148 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.6 Cg_endo -69.77 155.12 66.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.6 -74.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -129.62 146.48 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.477 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 88.7 m-70 51.99 18.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.62 103.34 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -146.29 154.35 41.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.04 145.25 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.65 171.8 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -95.09 -0.57 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 6.9 mmmm -77.14 -41.15 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -53.64 -51.79 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.545 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 68.6 m-85 -74.11 147.78 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.5 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.29 -42.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -19.71 31.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 m -83.96 -16.87 42.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 81.2 m-85 -99.85 -174.67 2.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -125.94 33.16 5.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.607 ' HG3' HD23 ' A' ' 71' ' ' LEU . 6.4 mtp180 -57.05 144.23 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ASP . 11.4 mtt-85 -148.1 126.34 12.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.694 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -79.85 116.19 19.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -66.08 137.68 57.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 ptm -56.54 -20.72 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.413 ' OD1' ' NH1' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -100.57 24.68 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -112.7 131.81 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.97 151.75 58.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.75 81.33 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 3.0 p -85.65 20.35 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.83 -69.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.73 146.98 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.758 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -94.77 -27.32 15.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 63' ' ' HIS . . . -51.38 155.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB2' ' NH1' ' A' ' 48' ' ' ARG . . . -99.35 141.53 32.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.81 21.42 79.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 21.6 t -114.79 -80.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 72.62 57.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -104.6 122.83 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.03 -66.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -119.64 127.05 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.861 HD11 ' HD2' ' A' ' 62' ' ' LYS . 3.5 mt -34.76 148.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.22 154.51 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -97.49 105.88 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 78' ' ' LEU . 31.6 m80 -106.78 102.1 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 172.63 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.7 m-85 -77.27 156.17 81.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.82 127.1 14.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.273 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -5.38 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -88.16 143.99 33.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.842 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.77 29.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -66.4 -53.74 32.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 mtt85 -82.57 -40.54 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.9 ttp85 -36.73 -49.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -68.68 -36.06 78.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.633 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.3 mm-40 -62.59 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.776 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.9 m95 -46.44 -33.02 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.745 HG11 ' O ' ' A' ' 51' ' ' PHE . 21.3 t -86.64 -31.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -76.13 -20.92 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.3 mt -83.14 -48.92 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 2.2 p -55.79 -24.19 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -4.67 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' NH1' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -42.18 159.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' PHE . 5.9 ttpp -62.45 77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' LYS . 29.7 m120 34.44 35.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.745 ' O ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -68.53 174.16 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.504 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -144.83 146.82 32.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.754 . . . . 0.0 111.096 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.0 41.95 1.48 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 1.6 ttpt 179.2 -151.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.541 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -62.12 -11.1 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.868 HG22 ' CE1' ' A' ' 32' ' ' PHE . 94.8 m -44.01 114.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -146.41 148.97 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 13' ' ' ALA . 3.9 mt -113.74 133.29 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 27' ' ' ILE . 26.3 m -59.92 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.2 p -101.93 -24.36 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.861 ' HD2' HD11 ' A' ' 27' ' ' ILE . 9.5 mttm -62.97 -25.1 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' HD12 ' A' ' 86' ' ' ILE . 96.0 m-70 -64.41 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CD2' HD21 ' A' ' 78' ' ' LEU . 21.9 m-85 -88.21 148.05 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 86' ' ' ILE . 2.1 mt-10 -60.95 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 -42.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.78 -10.74 50.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.73 -3.94 57.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 64' ' ' PHE . 71.1 m-85 -107.55 179.81 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -108.65 89.58 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 75' ' ' THR . 3.5 mtm180 -83.65 113.89 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ASP . 65.6 mtt-85 -126.05 134.6 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.8 OUTLIER -60.91 115.74 3.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.662 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.4 mtpt -63.85 128.32 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 mtp -56.57 -13.72 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.473 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 35.9 t70 -105.61 32.75 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.36 158.68 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -136.62 151.25 72.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.177 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.841 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 89.98 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.2 p -88.49 27.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.576 HD11 ' HG2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -146.0 132.93 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' PRO . 20.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -103.89 128.46 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.73 -47.36 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.838 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.02 107.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.41 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.68 52.18 3.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -151.68 159.74 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.17 36.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -86.24 118.98 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -131.55 -72.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.35 96.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.4 mt -42.88 133.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -76.79 154.36 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 49.4 p90 -102.77 113.24 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -110.7 103.56 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -59.32 169.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -69.99 156.57 91.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 138.26 37.39 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -76.3 -11.03 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 146.42 53.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -38.26 7.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.8 mmt180 -83.1 -50.74 8.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -37.89 -55.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -34.53 77.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -66.78 -59.8 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.706 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.5 m95 -44.1 -45.0 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' HD3' ' A' ' 53' ' ' PRO . 59.6 t -73.53 -34.43 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -72.74 -23.26 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.656 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.1 mt -85.69 -51.17 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.7 p -57.03 -33.3 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 49.32 69.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 7.3 mmm-85 -90.79 -57.16 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 167.01 74.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 38.42 39.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -94.42 175.93 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.587 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -148.86 147.15 23.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 111.133 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.514 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.81 167.06 25.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.71 37.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.69 -93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -134.92 1.31 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -40.32 123.69 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -140.36 166.2 25.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.1 mt -138.01 141.21 40.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.609 ' HB3' HD13 ' A' ' 27' ' ' ILE . 20.5 m -60.37 163.56 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.4 p -91.46 -5.49 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -76.0 -27.97 57.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.598 ' O ' HD13 ' A' ' 86' ' ' ILE . 75.5 m-70 -64.78 -45.29 86.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 45.8 m-85 -77.06 142.76 39.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.76 -97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.54 -36.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -9.61 33.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.439 ' O ' HD22 ' A' ' 78' ' ' LEU . 38.4 m -88.97 -8.82 53.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CE1' HD23 ' A' ' 78' ' ' LEU . 79.0 m-85 -110.98 172.06 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -104.69 95.93 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.78 0.324 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.8 mtt180 -121.35 131.67 54.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -71.84 120.77 17.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.715 ' N ' HD13 ' A' ' 78' ' ' LEU . 4.1 mtpp -74.12 135.55 42.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ptm -56.83 -22.34 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.78 15.49 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -106.96 133.18 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.706 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -119.11 151.64 50.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 111.173 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.656 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 77.65 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -80.84 44.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 63' ' ' HIS . 2.5 mp -139.42 -84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.0 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.08 126.41 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.2 -24.79 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.683 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -59.41 103.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.59 -29.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.02 75.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.5 t -156.14 161.49 40.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.61 21.63 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.6 m -96.62 109.94 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -119.44 -53.36 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -154.7 -68.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD ' ' A' ' 62' ' ' LYS . 9.0 mt -49.23 144.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -176.36 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 58' ' ' PHE . 18.6 m-85 -130.56 107.58 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' ND1' ' HB2' ' A' ' 78' ' ' LEU . 98.2 m-70 -113.82 101.23 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -179.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 5.8 m-85 -75.21 153.79 86.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 135.89 31.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -69.5 -17.9 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.0 144.46 72.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.48 10.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -57.62 -45.86 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.89 -48.32 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.75 -56.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.98 -39.57 95.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -58.72 -61.51 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.747 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.2 m95 -40.96 -44.9 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.34 -28.29 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -78.51 -26.91 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.0 mt -81.56 -46.72 14.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 14' ' ' ALA . 3.7 p -57.27 -23.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.05 69.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -128.17 162.83 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 49' ' ' LYS . 5.6 mmpt? -59.05 -152.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -77.6 50.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -94.52 142.24 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.4 145.63 55.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.84 -166.65 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.229 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.33 19.35 9.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -148.18 -156.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -14.22 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.52 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -43.88 114.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -139.51 160.39 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 11.0 mt -124.55 139.94 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.0 m -63.71 169.36 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HG ' ' HZ ' ' A' ' 69' ' ' PHE . 1.8 t -90.14 -33.02 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.662 ' CD ' HD11 ' A' ' 27' ' ' ILE . 9.7 mtpm? -42.78 -42.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.537 ' O ' HD13 ' A' ' 86' ' ' ILE . 60.9 m-70 -55.62 -56.55 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -68.55 160.62 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.74 -97.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.762 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -146.69 -40.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -12.09 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -92.99 1.04 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.686 ' CE1' HD23 ' A' ' 78' ' ' LEU . 86.6 m-85 -119.3 -174.78 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.7 t70 -103.74 78.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.318 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 2.9 ttp180 -64.98 100.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.8 mtp180 -112.97 127.63 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -65.22 120.12 12.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.8 mtpt -71.43 137.32 48.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.7 mtm -60.63 -12.89 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.93 25.14 12.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -111.52 129.53 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -117.41 151.84 48.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.78 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.9 p -87.44 31.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 63' ' ' HIS . 3.0 mt -128.6 -79.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.87 131.7 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -59.31 -43.32 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -34.45 137.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.52 105.16 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.11 -5.42 23.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.8 t -86.2 147.14 26.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.534 HG21 ' SG ' ' A' ' 60' ' ' CYS . 53.1 m -115.35 109.25 17.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -144.59 -65.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -117.91 -65.65 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.9 mt -39.74 152.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -102.11 137.13 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.4 m-30 -85.09 108.13 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 94.5 m-70 -110.27 106.7 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -61.06 171.22 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.8 m-85 -64.33 156.2 77.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 141.63 45.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -75.6 -18.07 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -77.56 149.58 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.8 Cg_endo -69.79 -46.78 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -49.28 -50.43 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.3 mmt180 -79.1 -51.84 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.22 -49.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 9.0 mtpt -68.4 -37.77 80.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -63.42 -61.4 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.732 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.6 m95 -40.91 -47.95 3.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 51' ' ' PHE . 36.2 t -68.51 -33.31 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -77.08 -21.94 53.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.3 mt -87.45 -47.46 8.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.803 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.9 p -57.87 -26.3 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.13 73.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.78 83.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.5 mttt 40.99 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.08 22.42 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -55.34 163.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.622 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -145.31 145.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.21 57.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 35.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -156.52 -92.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -5.66 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -38.83 116.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -137.07 164.0 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -136.81 139.32 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' HB3' HD13 ' A' ' 27' ' ' ILE . 16.6 m -62.37 -174.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -20.06 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HG3' HD11 ' A' ' 27' ' ' ILE . 6.2 mttm -60.34 -21.99 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -77.56 -36.0 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.2 m-85 -98.78 136.26 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -62.72 -97.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.46 -40.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -8.44 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.45 -7.43 56.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 78' ' ' LEU . 95.2 m-85 -110.94 -175.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' ARG . 1.1 t0 -117.56 93.38 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.734 0.302 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.38 110.93 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' ASP . 44.2 mtt180 -121.61 128.08 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.22 113.06 2.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.597 ' N ' HD13 ' A' ' 78' ' ' LEU . 2.5 mtpm? -55.23 121.03 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.22 -18.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 35.99 2.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.2 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -124.88 151.95 69.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.654 0.74 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.697 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 89.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -79.56 3.0 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.8 122.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 1.3 p30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 15.0 t -34.73 141.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -78.12 -41.45 35.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.913 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -39.5 142.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.89 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.46 96.96 2.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 42.1 t -139.19 -61.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 74.65 78.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.422 HG21 ' SG ' ' A' ' 60' ' ' CYS . 7.4 m -155.37 121.88 5.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -108.96 -66.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ASN . 2.0 t80 -141.26 -41.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' TYR . 1.6 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.9 mt -38.17 143.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.79 165.43 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 6.3 m-85 -122.65 105.84 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 68.5 m-70 -112.23 104.82 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 160.77 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 15.6 m-85 -51.13 159.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.3 Cg_endo -69.79 173.16 11.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -112.47 1.51 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 151.37 41.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.69 37.72 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -79.02 -48.13 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -74.84 -42.16 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 ttm-85 -45.8 -52.26 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.35 -33.12 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.17 -59.11 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.703 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.7 m95 -52.84 -43.72 66.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 39' ' ' ARG . 57.9 t -69.48 -28.91 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.78 -28.53 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.3 mt -81.88 -28.52 32.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' HA ' ' A' ' 14' ' ' ALA . 8.4 p -85.21 -24.33 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 46.12 68.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.837 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -108.81 32.32 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' PHE . 10.4 tppt? 73.86 64.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t30 38.46 30.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.74 174.61 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -130.05 145.08 55.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.141 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 54.1 Cg_endo -69.79 144.68 54.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -122.0 -81.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.13 -71.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -58.17 -37.19 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.43 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -41.0 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.31 170.44 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 17.3 mt -130.86 144.4 51.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' HG21 ' A' ' 19' ' ' THR . 28.6 m -66.35 165.76 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -47.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -39.11 -31.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.741 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.8 m-70 -56.8 -55.72 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 78' ' ' LEU . 15.2 m-85 -66.96 153.65 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.705 ' CG ' HD11 ' A' ' 86' ' ' ILE . 39.1 mt-10 -79.83 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.547 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -151.37 -39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -8.06 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 67.2 m -84.65 -4.35 58.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -105.59 176.6 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -96.82 69.5 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.784 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 77' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.4 90.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' HG3' HG23 ' A' ' 75' ' ' THR . 49.3 mtt180 -112.42 130.95 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.62 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -66.76 115.0 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -68.85 147.41 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -40.08 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 14.7 m-20 -85.75 28.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.62 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -109.11 125.63 52.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.9 150.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.832 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.78 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.1 p -85.09 47.57 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 63' ' ' HIS . 83.4 mt -148.99 -91.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 59' ' ' LEU . 44.4 t -70.07 114.65 8.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -54.6 -18.53 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' N ' HD21 ' A' ' 59' ' ' LEU . . . -39.89 161.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 46' ' ' VAL . . . -102.99 33.09 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.46 50.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 37.7 t -125.39 -82.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 83.38 100.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -124.71 6.29 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -47.31 123.23 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER 34.47 82.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m120 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.329 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.474 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.7 mt -44.23 137.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 179.56 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 5.5 m-85 -127.66 103.62 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 94.9 m-70 -103.42 101.74 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.4 169.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.0 157.17 87.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.38 2.35 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.62 141.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.495 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 53.3 Cg_endo -69.76 -16.58 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -75.46 -41.71 54.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.493 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 26.7 mmt180 -93.53 -41.08 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.4 ttt180 -38.3 -36.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -79.41 -45.44 19.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -56.44 -53.62 55.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.79 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.1 m95 -50.47 -58.44 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.833 HG12 ' NE ' ' A' ' 48' ' ' ARG . 23.6 t -60.76 -20.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -86.77 -20.11 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.871 HD13 ' HG2' ' A' ' 84' ' ' PRO . 3.9 mt -87.31 -41.75 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -50.12 -33.8 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 75.46 28.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.833 ' NE ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.22 -152.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 6.0 mtpt -131.61 81.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 51.42 46.63 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -96.48 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.2 t -155.53 145.54 15.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.723 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.638 ' HA ' HG21 ' A' ' 57' ' ' THR . 53.7 Cg_endo -69.79 138.75 38.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.17 -74.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 -45.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.317 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -110.7 56.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.638 HG21 ' HA ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.04 118.47 34.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -148.6 173.62 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 6.0 mt -139.7 130.78 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.436 ' HB2' ' CE1' ' A' ' 63' ' ' HIS . 10.3 m -39.97 160.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.3 p -90.94 -38.71 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -34.36 -52.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 22.1 m80 -49.06 -60.76 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 78' ' ' LEU . 73.6 m-85 -58.17 146.78 32.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.88 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -94.69 -170.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.58 56.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.44 -0.27 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 m -109.05 -9.96 15.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 65' ' ' GLU . 55.5 m-85 -106.61 174.14 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.753 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 104.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -126.5 125.64 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -67.1 113.61 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.614 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.2 mtpp -59.86 131.98 52.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -21.6 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.07 34.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -123.52 141.48 51.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -120.26 151.04 52.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.871 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.75 92.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.9 p -74.51 4.97 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.88 HD11 ' HG3' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -134.31 149.68 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 20' ' ' THR . 4.5 t-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.3 t -86.9 137.2 32.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.14 -2.27 50.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.622 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -55.76 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.09 101.67 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 79.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -138.1 -75.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.51 90.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -108.59 6.94 26.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -34.91 -78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.639 ' H ' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -66.23 88.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.804 HD11 ' CD ' ' A' ' 62' ' ' LYS . 20.4 mt -48.8 147.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.47 171.97 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 43.5 p90 -117.46 104.48 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 92.7 m-70 -113.45 103.19 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 173.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.44 156.76 91.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.77 138.56 38.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.45 -14.69 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -80.4 147.11 63.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.61 8.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -57.87 -47.75 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 29.0 mmt180 -83.35 -47.67 11.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -40.18 -50.82 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.28 -32.77 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -68.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.778 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -39.21 -33.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' HA ' HG12 ' A' ' 46' ' ' VAL . 42.8 t -86.13 -35.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -71.86 -22.91 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.5 mt -84.67 -48.34 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 14' ' ' ALA . 6.6 p -59.9 -11.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER 82.65 -47.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.96 93.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' ARG . 2.5 mtpt -76.27 -46.36 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -77.3 49.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.2 OUTLIER -150.24 153.5 36.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.603 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -150.46 144.68 17.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.151 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -171.04 -150.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.815 HG21 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -48.9 124.22 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -146.42 166.51 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 mt -132.63 139.6 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.1 m -63.21 163.69 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.89 -12.85 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.804 ' CD ' HD11 ' A' ' 27' ' ' ILE . 2.0 mtpt -62.3 -45.87 91.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.702 ' O ' HD13 ' A' ' 86' ' ' ILE . 57.7 m-70 -56.55 -47.03 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 60.3 m-85 -62.96 170.45 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.921 ' HG3' HD11 ' A' ' 86' ' ' ILE . 34.3 mt-10 -95.61 -14.84 23.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.98 -7.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.74 0.0 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -107.18 3.15 25.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.615 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 4.1 m-85 -80.54 -178.83 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.1 t0 -103.82 93.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.74 0.305 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 100.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' ASP . 49.6 mtp85 -119.1 128.25 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.615 HD23 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -63.85 111.33 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mttp -58.41 137.12 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -7.13 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.6 18.14 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.79 141.81 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.778 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -129.65 151.82 78.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.658 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.3 Cg_endo -69.75 88.62 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 p -78.12 6.97 6.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.921 HD11 ' HG3' ' A' ' 65' ' ' GLU . 1.6 mp -124.55 161.08 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -78.54 131.77 36.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -74.11 -27.74 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.789 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -69.5 103.49 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.4 164.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.53 -46.57 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.97 -80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.83 65.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.25 133.76 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -124.96 -171.74 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -59.37 -56.61 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.599 HD11 ' CD ' ' A' ' 62' ' ' LYS . 1.5 mt -74.78 131.93 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -72.89 136.24 45.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 24.4 p90 -94.43 114.82 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -114.37 96.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 164.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 8.7 m-85 -56.46 158.96 7.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.83 151.85 68.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -86.85 -14.13 42.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 149.35 54.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -38.63 7.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -55.94 -43.57 77.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.9 mmt180 -85.99 -49.44 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.9 ttm180 -37.17 -53.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.44 -32.7 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -65.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.736 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.0 m95 -42.72 -46.2 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.0 t -70.25 -31.62 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -32.28 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 84' ' ' PRO . 9.8 mt -75.9 -38.46 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.789 HG23 ' HA ' ' A' ' 14' ' ' ALA . 14.2 p -77.48 -30.93 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 50.0 64.37 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.666 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -110.49 35.7 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER 82.04 -164.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -78.38 46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.52 158.15 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -138.57 144.37 42.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.54 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.9 Cg_endo -69.77 73.85 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.32 -12.41 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -121.34 -170.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -59.56 82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 13' ' ' ALA . 3.5 m -136.48 123.29 21.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -142.37 161.76 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 13' ' ' ALA . 10.4 mt -119.75 138.02 53.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.4 m -63.09 143.17 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -27.83 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 27' ' ' ILE . 3.0 mtpm? -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -59.4 -37.64 78.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 24.5 m-85 -88.6 146.51 25.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.37 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.45 -38.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 m -61.22 -13.7 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' HD22 ' A' ' 78' ' ' LEU . 55.8 m -87.38 -0.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.618 ' CE1' HD23 ' A' ' 78' ' ' LEU . 92.1 m-85 -121.52 175.71 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -108.16 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 71' ' ' LEU . 3.3 ttp180 -57.21 101.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -112.43 128.2 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.618 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -66.2 113.07 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmt -53.43 130.6 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -18.6 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.38 32.91 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . . . -115.29 134.03 55.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.736 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.21 151.33 44.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.742 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 90.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 86' ' ' ILE . 41.1 p -58.26 -11.27 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.538 HG22 ' H ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -133.89 -152.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.538 ' H ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' SG ' HD23 ' A' ' 59' ' ' LEU . 42.5 t -61.5 132.15 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NH1' ' A' ' 48' ' ' ARG . . . -76.83 -19.85 57.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.831 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -56.46 124.21 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.52 120.55 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.18 23.23 25.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 t -123.27 -66.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.87 105.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.24 127.23 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.49 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -138.1 -41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 t30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 60' ' ' CYS . 0.6 OUTLIER -58.1 138.78 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -68.82 164.15 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 15.8 p90 -121.52 106.36 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 89.6 m-70 -114.79 96.42 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.64 177.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.78 155.92 91.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.28 -25.32 54.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 147.06 88.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -42.94 3.02 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.405 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -46.8 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.9 mmt180 -83.15 -52.34 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.3 ttt180 -37.54 -52.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.92 92.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.518 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.98 -57.57 12.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.724 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.6 m95 -46.01 -38.28 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 39' ' ' ARG . 11.7 t -80.63 -26.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.4 35.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.2 mt -88.19 -38.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.831 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.8 p -67.06 -15.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 74.52 47.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' O ' ' A' ' 13' ' ' ALA . 19.2 mtt180 -149.02 56.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.35 -27.7 62.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -68.17 -15.83 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.746 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -104.07 166.64 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.571 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -158.94 145.24 12.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.55 -35.17 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.61 -94.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -132.3 -0.52 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.746 HG21 ' CE1' ' A' ' 51' ' ' PHE . 3.7 m -36.89 125.45 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -141.42 175.48 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 11.2 mt -136.76 142.28 43.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.594 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.1 m -59.91 166.48 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.0 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -42.22 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -50.46 -57.33 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 65.1 m-85 -71.35 141.56 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.56 -97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.94 -37.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 m -60.46 -16.18 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -87.94 -6.96 57.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 78' ' ' LEU . 83.9 m-85 -117.26 175.6 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -104.61 101.34 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' ARG . 11.7 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 71' ' ' LEU . 3.2 ttp180 -150.59 96.72 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -108.99 128.39 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.587 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -66.69 111.79 3.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.579 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mtpp -67.48 137.35 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.4 mmm -59.02 -22.72 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -96.15 18.99 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.95 132.15 53.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.724 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.48 151.39 56.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.75 80.67 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -88.89 29.48 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.04 -68.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -109.56 -62.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -103.41 14.38 31.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.06 -140.57 22.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.56 139.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 43.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.88 113.01 4.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ptp -137.03 150.0 68.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 77.71 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.16 101.66 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -55.77 165.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 20.1 t -104.38 135.37 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.755 ' HB1' ' NH2' ' A' ' 48' ' ' ARG . . . -69.18 -37.21 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.839 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -40.98 157.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.43 145.06 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.98 29.11 73.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -103.71 158.53 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.94 51.61 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 20' ' ' THR . 55.9 m -115.8 139.21 50.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -168.22 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.0 t80 176.9 87.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -88.72 -87.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -62.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -86.34 -6.62 58.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 mm -58.66 110.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -101.87 18.77 19.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.412 HD11 ' CD ' ' A' ' 62' ' ' LYS . 6.7 mt -62.51 144.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.94 139.2 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 40.7 p90 -88.68 108.81 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 77.4 m-70 -115.05 105.18 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 9.1 m-85 -78.61 154.29 78.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.83 135.82 31.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -70.28 -11.25 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -83.37 144.57 46.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 110.836 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.76 -36.14 11.36 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -59.18 -45.18 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.19 -49.16 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 3.2 ttm180 -37.16 -56.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -62.9 -39.32 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -58.51 -57.92 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 83' ' ' VAL . 11.3 m0 -47.24 -46.81 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HA ' HG12 ' A' ' 46' ' ' VAL . 77.1 t -71.87 -34.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 ' HG2' ' A' ' 84' ' ' PRO . 8.0 mt -93.76 -44.7 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.4 p -54.19 -16.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.06 74.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.755 ' NH2' ' HB1' ' A' ' 13' ' ' ALA . 12.1 mtm180 -151.0 73.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 48.76 -170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -85.33 25.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -52.94 162.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -134.81 145.38 54.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' A' ' 57' ' ' THR . 54.0 Cg_endo -69.71 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.57 -31.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.97 144.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 62.2 16.5 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -92.96 101.8 14.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.615 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -144.36 160.96 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 58' ' ' PHE . 27.7 mt -129.43 144.42 51.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -71.76 154.5 41.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -75.17 4.64 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' CD ' HD11 ' A' ' 27' ' ' ILE . 41.5 mtpt -86.22 -26.73 24.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 42.5 m-70 -83.07 -11.67 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 57.2 m-85 -101.8 147.23 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 60.9 mt-10 -66.08 -5.21 9.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.69 -48.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -15.82 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 2.53 30.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 7.1 m-85 -85.87 -176.54 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.6 t70 -103.24 59.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -94.47 -33.09 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -38.21 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -126.07 51.42 0.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.454 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.641 ' O ' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER 81.47 168.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 74' ' ' GLN . 12.0 t 46.46 -154.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.481 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 ttp180 -168.79 83.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mtt180 -106.19 126.63 52.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -53.03 113.83 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 78' ' ' LEU . 26.4 mtpp -60.97 135.73 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.7 mtm -64.87 -6.59 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.75 20.18 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -101.14 170.96 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -160.31 151.63 16.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.618 0.723 . . . . 0.0 111.124 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.652 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.5 Cg_endo -69.79 92.2 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.3 p -68.37 -10.75 57.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -131.65 -170.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 167.36 -24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 48.47 50.31 16.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -83.78 6.95 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' PHE . 2.0 m 34.78 81.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -35.46 -72.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -131.0 -68.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.38 -43.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.5 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.76 162.41 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -164.41 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.2 t -80.0 -50.78 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 p 45.02 -94.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -158.57 110.84 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 62.1 20.87 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.67 -177.14 38.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -117.93 -23.71 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p 55.79 32.11 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 -127.42 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.31 158.65 75.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 155.12 66.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.613 HG21 ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -138.25 162.8 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -94.22 -177.42 4.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.06 134.48 36.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -59.63 -34.33 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -47.15 140.37 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.58 -10.6 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.47 63.87 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -155.1 -68.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.72 36.06 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 137.66 47.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.5 -75.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.31 148.12 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -145.59 25.22 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.57 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ILE . 42.2 m170 -59.55 -67.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -36.8 134.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.48 34.58 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 60' ' ' CYS . 8.1 mt -40.63 143.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.29 144.07 25.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 22.1 p90 -96.85 111.7 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 94.5 m-70 -116.18 98.07 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.88 176.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CD2' ' HG3' ' A' ' 53' ' ' PRO . 4.5 m-85 -69.89 156.49 91.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.82 140.06 41.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -72.92 -14.39 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.22 147.9 54.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.88 2.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -46.96 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 55.4 mmt-85 -83.49 -49.66 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.58 -54.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -61.32 -34.88 75.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' VAL . 8.7 mm-40 -68.41 -63.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.721 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.4 m95 -38.8 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 51' ' ' PHE . 60.9 t -89.49 -39.36 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -68.2 -37.2 80.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.9 mt -66.76 -56.31 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.735 HG23 ' HA ' ' A' ' 14' ' ' ALA . 4.5 p -55.73 -16.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 42.52 78.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.7 mmm180 -112.57 -11.36 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 61.13 128.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' LYS . 36.2 t30 36.93 56.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -138.06 151.51 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -163.47 144.47 7.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.83 175.78 7.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.17 35.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.628 ' HG2' ' CD2' ' A' ' 56' ' ' HIS . 1.1 ttpt -169.24 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.628 ' CD2' ' HG2' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -123.55 -5.79 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -37.59 122.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -148.15 166.23 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -132.31 140.2 48.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 27' ' ' ILE . 10.4 m -64.81 155.62 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -87.32 -15.42 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 1.3 ptmm? -57.07 -39.09 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' HD13 ' A' ' 86' ' ' ILE . 50.2 m-70 -67.91 -43.75 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HA ' HD13 ' A' ' 86' ' ' ILE . 32.8 m-85 -60.71 165.68 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 2.9 mm-40 -87.77 -13.45 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 77.48 -9.46 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.4 0.96 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.13 -0.49 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.738 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -81.8 179.19 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -119.3 102.21 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.716 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.35 -94.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 t 39.68 32.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.33 -54.39 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.26 -168.47 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 t -65.52 -165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.14 104.51 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' ASP . 20.4 mtt180 -118.33 125.45 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.738 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -68.69 120.68 15.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.733 ' N ' HD13 ' A' ' 78' ' ' LEU . 22.3 mtpp -71.22 127.22 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -15.06 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.71 9.41 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -101.61 156.17 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -141.57 151.04 59.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.131 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.842 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.81 77.01 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.5 p -88.13 42.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.56 HD11 ' HG2' ' A' ' 65' ' ' GLU . 2.9 mp -139.69 -73.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 45.93 70.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.18 124.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -62.92 150.93 40.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.25 175.29 8.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.9 m 53.08 100.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 59.1 90.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.1 tt -60.57 140.72 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m -135.08 4.77 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.12 -169.0 53.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 153.15 69.04 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.5 m -95.22 45.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.97 137.15 32.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -119.5 25.26 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.789 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.33 128.12 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.79 -125.36 4.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.69 -52.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t 52.69 -91.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 -145.48 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -119.52 143.95 35.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -78.54 -170.33 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -149.53 145.4 26.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.6 136.92 49.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . . . -82.4 -29.95 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.713 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.59 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -42.64 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.26 -45.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 6.0 t -77.83 156.92 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.76 115.95 10.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.85 135.04 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -128.07 171.18 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' THR . 31.9 t80 -35.82 -53.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CB ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER 48.9 -169.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -115.49 -67.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -93.55 62.59 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.5 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.9 -45.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER 82.44 -39.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.799 HD11 ' HD2' ' A' ' 62' ' ' LYS . 8.7 mt -53.99 134.51 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.33 131.19 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 42.8 p90 -80.3 103.99 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 97.5 m-70 -106.17 99.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.76 171.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 57' ' ' THR . 10.7 m-85 -64.43 154.25 84.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.73 145.16 56.49 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -77.79 -17.94 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.09 145.41 60.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.05 17.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -42.03 96.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 30.1 mmt180 -88.89 -47.85 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -37.4 -49.07 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -70.3 -38.63 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.633 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.46 -57.88 10.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -47.02 -45.34 21.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 51' ' ' PHE . 21.7 t -74.85 -25.13 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -82.76 -20.75 35.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.4 mt -90.81 -24.91 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 14' ' ' ALA . 7.8 p -88.26 -10.76 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 39.07 74.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 51' ' ' PHE . 2.3 mtp85 -117.85 30.51 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.08 -155.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.18 52.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.5 150.06 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -128.29 144.37 51.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 111.138 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.3 Cg_endo -69.78 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 -85.03 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 5.7 ttpt -139.24 146.47 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER 74.6 -1.09 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.79 113.15 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -142.42 166.52 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 10.1 mt -132.39 139.63 48.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 16.0 m -66.91 138.05 57.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.4 p -66.38 -30.98 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.799 ' HD2' HD11 ' A' ' 27' ' ' ILE . 2.6 mtpt -44.02 -45.8 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 42.2 m-70 -60.27 -39.95 88.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 26.5 m-85 -66.04 167.12 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -83.96 -14.77 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.51 -11.5 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -0.05 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.413 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.93 -2.37 29.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.797 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -79.91 179.38 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -125.8 84.18 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD22 ' HG3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -103.5 -93.97 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.2 t 37.71 36.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.37 -74.27 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' N ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -68.92 -172.96 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.908 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.477 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 2.8 t -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.767 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -87.08 98.0 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASP . 52.4 mtt-85 -106.35 126.95 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.797 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.95 123.51 23.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.789 ' N ' HD13 ' A' ' 78' ' ' LEU . 33.3 mttm -67.08 123.52 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.8 mtm -53.26 -16.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.04 22.35 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -110.82 141.51 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -126.26 151.88 72.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 111.153 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.611 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.7 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -79.76 10.07 4.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -141.26 126.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.07 13.62 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.32 172.97 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.7 156.33 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.48 -168.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.9 t -156.05 147.35 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.58 -78.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -150.79 -38.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -41.97 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.62 177.36 48.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 98' ' ' SER . 54.5 Cg_endo -69.74 147.44 63.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.275 . . . . 0.0 112.392 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 80.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.4 OUTLIER -104.39 178.73 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -27.53 32.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.8 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -58.32 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.88 99.89 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.84 157.39 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -163.72 85.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.19 -40.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -91.1 148.94 39.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.41 2.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 168.24 9.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -104.53 -179.67 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 11' ' ' ASN . 19.4 t -100.52 134.4 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.69 -18.79 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -53.96 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.04 -89.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.97 87.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.4 t -142.3 154.27 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.46 48.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 HG21 ' SG ' ' A' ' 60' ' ' CYS . 3.5 m -115.38 114.62 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -163.14 -51.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -139.68 97.18 3.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -125.03 44.45 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt 47.84 79.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 57.75 61.89 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 tt -59.35 139.38 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -34.93 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.7 mt -44.61 149.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 p -98.38 176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 23.8 p90 -125.31 106.67 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 95.6 m-70 -105.69 96.82 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -53.78 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.91 154.74 86.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 140.49 42.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -76.54 -9.86 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 147.89 47.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -38.53 7.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -57.95 -47.63 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.6 mmt180 -82.17 -47.51 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 ttt180 -39.8 -52.44 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.69 -30.3 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.9 mm-40 -69.71 -62.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.742 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.3 m95 -43.28 -31.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 51' ' ' PHE . 42.5 t -88.76 -34.12 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -73.79 -21.23 60.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -85.05 -54.49 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -54.04 -15.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 35.3 77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 7.5 mmm180 -123.64 30.16 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 78.56 -153.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 17.9 t30 -76.35 54.36 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.62 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -98.78 139.14 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.04 146.22 60.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.1 Cg_endo -69.78 129.67 17.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.92 -76.82 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -81.79 60.77 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 106.32 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -139.1 161.9 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 9.1 mt -132.99 141.0 48.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 19' ' ' THR . 15.0 m -64.12 144.01 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -26.35 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -48.97 -38.06 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.1 m-70 -68.17 -37.79 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.8 m-85 -68.88 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -83.71 -14.78 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.6 -11.69 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 t -80.93 0.11 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.04 0.72 38.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.802 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -82.3 179.9 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -103.66 99.84 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HE ' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -113.31 -32.48 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -73.36 -7.35 51.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.35 -64.76 0.42 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -147.63 -158.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.8 146.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.614 ' HE ' HD21 ' A' ' 71' ' ' LEU . 2.8 ttt180 -56.87 102.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.1 mtt180 -126.45 128.96 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -62.0 111.84 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.9 mtpp -56.7 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mtm -64.82 -6.63 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.76 20.26 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.434 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -106.83 151.37 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -135.74 151.25 73.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.714 . . . . 0.0 111.114 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.811 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 90.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -73.44 2.85 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -127.43 150.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 46' ' ' VAL . 1.2 m-85 -173.41 -55.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -135.01 -81.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 73.98 20.1 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 p -72.06 -75.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.53 154.62 20.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 pt -138.58 127.67 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.93 -166.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 79.61 48.46 6.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.548 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.6 Cg_endo -69.78 67.75 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 77.87 99.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -135.29 175.27 9.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -160.93 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -93.42 -62.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 139.98 3.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -114.25 -0.51 13.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -84.8 145.74 27.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.12 164.56 24.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mtt 56.89 159.46 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.574 0.702 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 87.7 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.51 145.63 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -157.28 -175.24 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -86.86 116.98 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.94 -41.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.659 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.19 129.23 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.11 -131.17 3.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 5.4 t 56.16 162.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.64 73.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.509 HG21 ' SG ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -120.65 133.44 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.2 -90.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -124.98 -61.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.09 172.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.02 2.06 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.94 -35.62 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 138.5 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -117.73 1.88 12.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.17 139.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 m -82.72 168.07 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 9.6 m-85 -118.25 107.07 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 75.7 m-70 -110.7 104.22 12.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.58 177.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.12 155.13 93.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.8 143.82 51.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.662 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -78.88 -15.47 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.92 145.56 57.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.95 22.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.19 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.1 mmt180 -86.57 -46.87 9.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -39.56 -53.77 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -65.8 -27.05 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -72.18 -63.83 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.774 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -39.83 -45.26 1.75 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 51' ' ' PHE . 59.6 t -70.16 -33.97 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -78.87 -19.99 50.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 84' ' ' PRO . 13.0 mt -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -53.67 -21.86 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 65.74 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -147.97 -39.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tttm 67.14 -72.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 58.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -153.93 162.58 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.535 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -160.67 145.54 10.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.107 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.59 -76.01 1.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' CG ' ' CE1' ' A' ' 56' ' ' HIS . 5.4 ptmt -164.96 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -89.75 -1.73 58.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.6 m -84.6 129.57 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -145.34 172.18 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 7.3 mt -130.41 133.41 46.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 19' ' ' THR . 12.7 m -60.26 155.36 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p -90.22 -16.54 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -56.77 -39.93 74.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 50.6 m-70 -66.25 -48.69 69.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 86' ' ' ILE . 19.0 m-85 -49.78 170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 42.1 mt-10 -91.28 -14.14 31.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 76.76 -8.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.23 0.63 35.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.482 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.62 -5.13 24.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.875 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -79.76 164.75 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -95.89 80.9 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.785 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -67.07 -19.24 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.1 134.94 51.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.02 -61.21 0.38 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 75' ' ' THR . 0.7 OUTLIER -172.38 124.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 76' ' ' ARG . 9.0 t 39.56 -158.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.46 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mtm180 -116.85 110.07 17.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.99 129.34 55.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.875 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -68.46 117.23 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.684 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.3 mttm -51.33 127.36 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -7.51 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.24 12.84 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -92.61 157.89 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -144.25 150.65 49.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.183 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.646 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.77 92.63 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 p -89.75 51.23 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -148.32 -93.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 8.0 m-85 55.17 49.35 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.46 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -169.2 83.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 -52.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.1 p -92.65 127.99 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 52.9 t-80 -152.78 53.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 tt -134.27 95.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.4 p -177.89 101.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.0 177.6 41.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -38.9 7.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.36 94.16 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 136.17 33.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.472 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.01 118.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.798 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 147.54 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.89 -26.83 73.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -146.17 176.55 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.79 113.6 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.41 174.77 40.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -155.78 157.35 31.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.95 29.22 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 10' ' ' THR . 52.5 m -102.67 1.45 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' CYS . 11.3 m-20 61.31 170.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 48.6 t -35.96 121.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -25.13 68.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.731 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -51.1 100.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.17 109.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.73 34.47 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.0 t -144.13 -76.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 68.22 76.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.27 131.42 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -116.04 -84.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -125.16 140.94 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' ND2' HG13 ' A' ' 25' ' ' ILE . 2.0 m120 -116.29 154.23 30.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -13.06 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -108.32 -43.74 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -80.04 -153.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.53 ' H ' HG22 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -164.8 24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 mt -47.5 140.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -101.86 143.73 31.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 51.4 p90 -86.3 112.58 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 77.0 m-70 -112.42 95.4 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -53.61 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-85 -79.74 153.42 75.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.7 0.762 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.85 148.71 65.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -82.52 -9.71 59.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -86.04 145.21 40.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.2 Cg_endo -69.81 -31.01 21.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -64.88 -42.33 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.6 mmp_? -87.68 -49.19 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.5 ttt180 -38.54 -50.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -65.42 -35.23 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -65.9 -62.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.77 ' CD1' HG12 ' A' ' 83' ' ' VAL . 19.5 m95 -40.14 -36.94 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG13 ' CD2' ' A' ' 51' ' ' PHE . 42.2 t -86.43 -32.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -72.87 -20.51 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.0 mt -88.26 -52.72 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.731 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -50.98 -20.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 63.82 68.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -138.64 95.49 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 144.16 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.61 31.51 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD2' HG13 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -132.45 138.22 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.53 144.46 53.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 147.63 63.09 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.51 -97.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -123.18 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 5.6 m80 79.19 -54.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -36.67 116.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -144.86 170.03 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 18.3 mt -131.82 144.26 50.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.5 m -67.55 151.91 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 5.3 p -84.79 -18.33 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -56.44 -39.4 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.441 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 45.1 m-70 -64.75 -47.84 76.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -54.05 165.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.733 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -83.97 -14.79 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.56 -11.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -0.05 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.91 -4.53 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.8 m-85 -79.48 166.75 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.4 t0 -97.57 87.97 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.7 -20.73 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.675 HG23 ' N ' ' A' ' 73' ' ' GLY . 1.3 t -102.39 -163.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.675 ' N ' HG23 ' A' ' 72' ' ' THR . . . 70.81 -88.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.95 -69.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.92 0.39 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -134.21 168.35 19.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -66.83 97.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.6 mtt-85 -113.44 130.1 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.871 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.1 tm? -62.43 119.57 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.716 ' N ' HD13 ' A' ' 78' ' ' LEU . 13.9 mttt -55.68 119.36 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mtm -52.77 -17.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -100.11 22.05 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -108.72 149.22 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -132.44 152.19 79.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.649 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.3 Cg_endo -69.79 69.97 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.9 p -82.12 41.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 65' ' ' GLU . 12.1 mt -139.94 -81.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 57.2 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.86 165.72 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.19 -66.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.17 78.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 p -127.68 -178.5 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -175.3 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.52 -47.3 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.9 p 41.13 58.02 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . -162.15 51.78 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.8 Cg_endo -69.71 147.99 64.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.2 OUTLIER 74.15 1.84 3.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.8 OUTLIER 80.84 37.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.509 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m 44.61 -168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.906 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -153.76 99.14 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.36 68.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -147.2 107.88 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 p -97.85 -40.49 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.97 -121.39 4.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -65.47 148.69 97.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 86.87 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 156.42 17.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -135.71 175.2 9.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 35.4 t -81.19 119.89 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.76 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -55.59 124.49 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 127.9 33.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.75 60.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 46.6 t -111.32 116.2 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.74 76.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.63 132.68 36.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.8 p -149.93 -89.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -58.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' HIS . 3.4 m-20 63.04 12.44 5.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 35.03 33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -170.53 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.78 136.38 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.56 11.06 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 62' ' ' LYS . 1.3 mt -34.39 149.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -86.42 173.08 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 11.7 p90 -125.14 107.79 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 96.3 m-70 -114.61 105.1 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.1 155.19 74.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.733 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.78 137.69 35.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.78 -16.42 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.65 143.95 68.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -33.97 15.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.1 -43.47 98.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 61.7 mmt-85 -87.56 -49.62 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.4 ttm180 -36.72 -53.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 4.8 mmmm -65.89 -39.99 91.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -53.52 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.727 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.2 m95 -52.27 -43.41 64.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 51' ' ' PHE . 22.3 t -76.19 -28.4 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -79.17 -23.76 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.9 mt -87.39 -40.8 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 42' ' ' TRP . 4.0 p -70.3 -17.95 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 36.55 85.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -145.78 92.02 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt 47.37 32.67 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 39.9 30.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.808 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.3 OUTLIER -54.03 -173.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.602 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -139.13 145.74 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 111.171 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' HG21 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.71 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.16 44.55 3.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' THR . 1.2 mttt -178.32 -173.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.4 OUTLIER -40.42 -28.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.808 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -36.05 121.89 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -146.64 171.44 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.3 mt -134.63 137.71 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' HB3' HD13 ' A' ' 27' ' ' ILE . 31.9 m -55.62 163.15 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -9.62 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' A' ' 27' ' ' ILE . 52.3 mttt -71.01 -41.42 70.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -56.89 -31.45 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.7 m-85 -93.68 160.12 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.775 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -99.56 -165.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.19 -25.54 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -1.88 36.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 8.4 m -100.46 -6.64 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 78' ' ' LEU . 74.9 m-85 -108.81 178.94 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -123.77 85.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.796 ' H ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -103.13 -29.01 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -44.17 -25.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.59 -75.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.561 ' C ' HG23 ' A' ' 75' ' ' THR . 32.5 mt-30 -155.54 139.03 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.561 HG23 ' C ' ' A' ' 74' ' ' GLN . 0.3 OUTLIER 49.61 178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' N ' ' OG1' ' A' ' 75' ' ' THR . 5.9 mtm180 -103.39 117.62 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ASP . 19.4 mtt180 -129.33 126.65 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -68.47 112.67 5.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 78' ' ' LEU . 11.9 mtpp -55.88 139.21 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -10.65 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.88 25.43 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.76 133.23 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.59 151.57 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.784 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.73 91.14 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.0 p -88.57 -11.52 45.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.775 HD11 ' HG3' ' A' ' 65' ' ' GLU . 3.4 mt -90.17 -67.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 84' ' ' PRO . 0.3 OUTLIER 40.2 84.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -42.72 82.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 t80 75.17 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 10.5 p -141.52 -172.8 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.1 p -76.52 -166.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 93' ' ' ILE . 14.9 m-70 -94.12 73.39 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER 36.54 39.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.76 105.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.11 -170.32 39.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.54 68.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.81 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.27 -59.51 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.508 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -122.6 -37.84 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.15 43.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.58 -132.8 3.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -143.46 103.2 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p -133.03 95.79 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.02 44.68 1.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.47 160.52 32.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 101.26 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.0 m -147.54 135.23 21.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -132.98 152.26 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.5 129.4 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 51' ' ' PHE . . . -67.71 -31.88 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -35.98 138.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.83 108.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.35 72.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 t -148.77 -64.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 19' ' ' THR . . . 63.13 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 83.39 6.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 p -43.18 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.18 134.44 53.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -142.73 17.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 80.45 -71.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -128.84 91.04 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.0 146.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.79 48.46 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 28' ' ' SER . 8.1 mt -79.1 139.78 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' O ' HG22 ' A' ' 27' ' ' ILE . 15.5 m -80.36 177.22 9.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 18.7 p90 -127.3 108.38 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 86.3 m-70 -114.62 97.12 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 6.6 m-85 -67.91 156.89 88.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.73 139.81 41.25 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -73.82 -11.59 60.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.33 146.23 44.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 0.0 110.891 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -56.4 -43.4 79.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -85.27 -50.08 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.69 -51.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -64.41 -39.71 94.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HB3' HG11 ' A' ' 83' ' ' VAL . 2.2 mm-40 -60.05 -59.43 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.876 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -44.76 -54.41 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG13 ' HD1' ' A' ' 51' ' ' PHE . 41.1 t -62.39 -23.68 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -90.6 -20.12 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.7 mt -88.55 -41.4 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.3 p -61.61 -29.97 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.72 85.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -143.67 155.71 44.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -96.71 125.9 41.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 48.95 36.66 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -100.99 155.92 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -176.43 144.64 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.7 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.294 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.59 -39.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 3.4 tttp -169.91 125.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 1.8 m170 77.66 -0.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.557 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -83.56 115.46 22.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -147.3 163.97 34.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 59' ' ' LEU . 11.7 mt -127.07 137.25 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.2 m -55.71 167.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.0 p -96.68 -17.41 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -61.73 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -64.21 -60.38 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.78 150.79 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -76.39 -97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.825 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -150.12 -38.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -10.49 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 1.6 m -88.03 -0.36 56.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 92.2 m-85 -114.17 -178.84 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.5 t70 -103.71 75.96 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -82.1 -34.03 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 72' ' ' THR . 6.4 t -88.47 59.36 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.25 -52.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.534 ' O ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER 176.17 131.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 74' ' ' GLN . 9.0 t 43.19 -166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -113.35 96.3 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASP . 57.1 mtt180 -112.45 130.06 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -62.88 110.89 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.7 mtpp -49.7 130.85 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mtp -59.17 -11.9 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.43 28.79 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -108.85 139.56 43.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.3 151.13 58.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.699 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.8 88.46 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -91.37 19.7 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 mp -134.79 -65.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 58.02 -82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' ILE . 5.5 t0 -171.53 135.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.01 99.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 p -121.14 163.63 18.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 143.91 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -63.02 -24.39 67.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 93' ' ' ILE . 5.4 mp -95.46 57.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.16 110.33 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 49.6 63.15 4.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 79.39 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 p 40.3 72.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -132.26 -64.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.512 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.83 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.68 153.71 27.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.02 -114.82 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.15 -6.39 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t 43.69 53.13 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.49 -148.53 5.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.5 mtm -84.81 150.12 55.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p -116.56 -161.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.43 127.26 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 34.8 t -49.03 108.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -34.42 -43.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -46.3 143.53 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.24 -56.97 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.58 61.97 4.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.67 153.8 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.57 34.79 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -92.89 114.48 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 p -137.25 -70.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -96.73 -77.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER 78.17 -46.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 3.7 tptp 80.47 -8.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 15.4 m80 -151.64 -151.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER 77.95 157.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.21 6.73 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.9 134.24 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -105.96 177.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 3.5 m-85 -119.2 105.45 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CD2' ' CB ' ' A' ' 78' ' ' LEU . 13.2 m80 -114.75 102.26 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.74 179.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.84 155.77 84.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.694 0.759 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.2 Cg_endo -69.76 151.73 69.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -83.44 -22.65 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -73.73 148.5 87.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.75 -39.55 6.4 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.58 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 11.5 mmp_? -85.74 -50.75 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 ttt-85 -37.25 -52.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 10.9 mtpt -66.8 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -64.3 -61.55 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.3 m95 -41.13 -34.68 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 13.6 t -84.91 -30.7 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.5 ttm-85 -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.4 mt -82.36 -49.6 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.6 p -50.6 -18.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 37.8 mtt180 77.25 40.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -105.73 -74.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER 77.15 -52.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.87 23.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.13 150.4 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.46 145.4 43.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.15 4.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 55' ' ' LYS . . . -116.97 53.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER 79.92 -53.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -80.3 44.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.416 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -126.2 123.77 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.1 150.38 34.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -125.0 138.82 54.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.2 m -57.23 171.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -97.25 -24.43 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -55.21 -38.03 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.573 ' O ' HD13 ' A' ' 86' ' ' ILE . 88.9 m-70 -56.88 -53.52 57.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 92.3 m-85 -70.21 129.49 39.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.54 -97.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.99 -39.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 p -59.7 -10.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.544 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -85.82 -15.46 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -106.62 157.73 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.25 102.7 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -73.96 -59.53 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 t -52.29 163.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.51 -90.05 1.03 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.1 -174.42 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -39.97 160.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.99 125.66 23.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -128.86 128.7 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' CB ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -60.04 110.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.1 mtpm? -67.69 136.26 54.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 ptp -56.39 -24.27 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.07 20.72 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -103.67 131.93 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.77 151.59 60.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 86.64 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -78.42 8.11 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 63' ' ' HIS . 1.1 mp -135.72 151.62 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -169.06 -64.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.99 145.63 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.84 112.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.83 -72.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 172.61 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 47.4 m170 56.52 179.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.3 109.54 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -80.51 145.14 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.77 173.06 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 125.49 12.22 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -159.64 24.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -119.17 154.01 33.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.484 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.58 -85.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.81 -66.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.78 -16.9 55.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -24.9 63.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.38 -26.03 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.66 -150.26 41.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtt -132.94 151.43 77.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.517 0.675 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.89 128.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.09 140.25 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 37.4 t -46.14 129.01 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.937 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -69.15 -40.17 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.79 121.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 98.15 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.92 39.35 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 t -130.81 -72.8 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 81.4 118.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -170.96 130.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -141.82 -89.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.3 159.8 35.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -170.97 -161.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.7 -20.13 11.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.0 -44.12 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.922 HG22 ' H ' ' A' ' 27' ' ' ILE . 21.9 mm -38.62 -75.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 56.23 25.92 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.922 ' H ' HG22 ' A' ' 25' ' ' ILE . 3.1 mt -63.41 142.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.8 p -78.98 -179.5 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 44.8 p90 -132.41 109.64 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -116.23 98.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.6 175.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE1' HG22 ' A' ' 57' ' ' THR . 7.1 m-85 -68.12 156.11 90.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.79 140.46 42.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.64 -19.83 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -78.74 148.45 72.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.72 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -47.63 -42.93 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.4 mmt180 -86.73 -52.07 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -36.63 -56.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -62.56 -34.15 76.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -63.88 -59.4 4.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.685 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.8 m95 -46.42 -41.24 13.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 15.1 t -75.42 -31.56 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.54 -26.48 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 84' ' ' PRO . 10.3 mt -85.49 -24.38 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 42' ' ' TRP . 9.0 p -96.64 -27.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 67.22 -72.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 35.56 33.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ARG . 17.6 mmtp 65.61 -152.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -76.91 51.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -89.0 159.95 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -149.65 146.38 20.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 85.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.84 -55.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -87.88 -169.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 83.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.937 HG23 ' HB2' ' A' ' 13' ' ' ALA . 5.9 m -126.64 126.38 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -144.28 172.42 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.1 mt -130.29 135.62 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' HD13 ' A' ' 27' ' ' ILE . 29.3 m -58.26 163.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -5.77 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 2.0 ptmt -73.43 -30.74 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 90.2 m-70 -62.6 -52.54 62.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 74.7 m-85 -70.49 -178.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 mm-40 -108.08 -97.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -156.37 -41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.3 m -60.52 -10.49 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.772 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 37.4 m -91.03 0.0 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.802 ' HB2' HD11 ' A' ' 71' ' ' LEU . 50.8 m-85 -113.28 -177.77 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.405 ' C ' HD13 ' A' ' 71' ' ' LEU . 2.1 t0 -100.88 77.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -85.73 -42.37 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 72' ' ' THR . 4.5 t -40.21 99.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . . . 35.28 66.85 0.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 171.21 145.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.12 142.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -64.37 97.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 48.1 mtt-85 -116.64 128.89 55.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -59.59 111.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' N ' HD13 ' A' ' 78' ' ' LEU . 15.5 mtpp -54.58 134.02 46.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -17.52 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -111.38 27.28 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.73 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.685 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.15 151.55 45.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 111.101 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.704 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.81 84.09 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.411 ' C ' HG13 ' A' ' 86' ' ' ILE . 43.4 p -85.78 38.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HG3' ' A' ' 65' ' ' GLU . 7.3 mt -150.43 -69.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 53.49 84.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.53 145.34 50.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -67.84 -9.31 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.4 t -150.36 152.65 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -132.06 120.39 22.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -162.09 98.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 93' ' ' ILE . 8.2 tt -135.92 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -161.47 165.29 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.4 170.66 32.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.33 27.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m -55.01 154.83 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m -83.8 76.96 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.522 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.04 -82.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -73.57 109.94 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.33 23.74 13.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -171.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -75.34 -68.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.54 179.28 22.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -119.86 156.63 53.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 152.21 69.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -158.18 151.95 23.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 68.76 153.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 10.9 t -106.0 125.43 50.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -46.93 139.31 5.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.03 128.47 35.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.8 33.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.432 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -120.91 -68.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.95 82.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.43 135.36 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -141.44 -157.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -60.98 -32.78 72.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 39.41 46.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.15 -88.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 103.31 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 26' ' ' ASN . 1.2 mm -130.7 156.29 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -114.23 -33.22 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -37.03 143.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.48 157.37 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -103.08 110.89 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 91.5 m-70 -116.16 97.33 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -178.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 11.5 m-85 -72.03 156.34 90.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 147.45 62.74 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -81.14 -9.82 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.67 40.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.91 17.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.67 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLU . 4.9 mmp_? -87.43 -50.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -36.51 -53.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -64.67 -37.52 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HB3' HG11 ' A' ' 83' ' ' VAL . 8.0 mm-40 -63.43 -56.44 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.1 m95 -45.99 -47.52 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.95 -22.49 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -87.83 -22.31 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 84' ' ' PRO . 5.4 mt -87.8 -15.79 35.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 46' ' ' VAL . 7.6 p -97.49 -12.25 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.03 79.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 6.7 mmm180 -122.56 127.35 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -63.26 124.87 22.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 38.81 57.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 18.1 t80 -116.49 161.43 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -169.93 145.05 2.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.148 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.6 Cg_endo -69.77 155.12 66.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.6 -74.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -129.62 146.48 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.477 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 88.7 m-70 51.99 18.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.62 103.34 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -146.29 154.35 41.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.04 145.25 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.65 171.8 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -95.09 -0.57 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 6.9 mmmm -77.14 -41.15 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -53.64 -51.79 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.545 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 68.6 m-85 -74.11 147.78 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.5 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.29 -42.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -19.71 31.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 m -83.96 -16.87 42.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 81.2 m-85 -99.85 -174.67 2.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -125.94 33.16 5.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -37.45 -32.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.729 ' O ' HG23 ' A' ' 72' ' ' THR . 10.5 t -60.21 85.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 74' ' ' GLN . . . 100.86 103.04 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER 76.55 164.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.23 163.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.607 ' HG3' HD23 ' A' ' 71' ' ' LEU . 6.4 mtp180 -57.05 144.23 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ASP . 11.4 mtt-85 -148.1 126.34 12.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.694 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -79.85 116.19 19.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -66.08 137.68 57.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 ptm -56.54 -20.72 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.413 ' OD1' ' NH1' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -100.57 24.68 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -112.7 131.81 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.97 151.75 58.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.75 81.33 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 3.0 p -85.65 20.35 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.83 -69.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER 57.74 78.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' PHE . 16.9 m-20 -37.59 107.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -62.18 -168.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.2 t -166.01 -42.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.0 p -104.22 167.15 9.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -107.39 23.58 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 94' ' ' SER . 6.1 mt 50.13 38.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER 77.51 33.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.37 169.92 42.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.81 29.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 m 56.8 106.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -131.97 93.14 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -102.89 -12.29 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 173.29 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.24 76.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.41 108.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.79 138.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.6 -126.62 4.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.39 143.76 34.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 175.75 7.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.285 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 t 178.71 154.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -149.16 168.75 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.73 146.98 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.758 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -94.77 -27.32 15.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 63' ' ' HIS . . . -51.38 155.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB2' ' NH1' ' A' ' 48' ' ' ARG . . . -99.35 141.53 32.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.81 21.42 79.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 21.6 t -114.79 -80.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 72.62 57.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -104.6 122.83 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.03 -66.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -119.64 127.05 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' OD1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -149.28 165.81 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -67.85 -89.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -89.8 70.97 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 25' ' ' ILE . 3.6 mm -131.4 100.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -98.13 9.4 42.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.861 HD11 ' HD2' ' A' ' 62' ' ' LYS . 3.5 mt -34.76 148.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.22 154.51 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -97.49 105.88 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' HB2' ' A' ' 78' ' ' LEU . 31.6 m80 -106.78 102.1 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 172.63 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.7 m-85 -77.27 156.17 81.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.82 127.1 14.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.273 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -5.38 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -88.16 143.99 33.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.842 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.77 29.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -66.4 -53.74 32.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 mtt85 -82.57 -40.54 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.9 ttp85 -36.73 -49.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -68.68 -36.06 78.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.633 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.3 mm-40 -62.59 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.776 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.9 m95 -46.44 -33.02 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.745 HG11 ' O ' ' A' ' 51' ' ' PHE . 21.3 t -86.64 -31.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -76.13 -20.92 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.3 mt -83.14 -48.92 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 2.2 p -55.79 -24.19 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -4.67 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' NH1' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -42.18 159.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' PHE . 5.9 ttpp -62.45 77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' LYS . 29.7 m120 34.44 35.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.745 ' O ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -68.53 174.16 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.504 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -144.83 146.82 32.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.754 . . . . 0.0 111.096 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.0 41.95 1.48 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 1.6 ttpt 179.2 -151.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.541 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -62.12 -11.1 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.868 HG22 ' CE1' ' A' ' 32' ' ' PHE . 94.8 m -44.01 114.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -146.41 148.97 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 13' ' ' ALA . 3.9 mt -113.74 133.29 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 27' ' ' ILE . 26.3 m -59.92 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.2 p -101.93 -24.36 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.861 ' HD2' HD11 ' A' ' 27' ' ' ILE . 9.5 mttm -62.97 -25.1 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' HD12 ' A' ' 86' ' ' ILE . 96.0 m-70 -64.41 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CD2' HD21 ' A' ' 78' ' ' LEU . 21.9 m-85 -88.21 148.05 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 86' ' ' ILE . 2.1 mt-10 -60.95 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 -42.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.78 -10.74 50.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.73 -3.94 57.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 64' ' ' PHE . 71.1 m-85 -107.55 179.81 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -108.65 89.58 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -75.72 -35.51 60.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 72' ' ' THR . 4.7 t -84.05 41.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.23 53.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.26 -72.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -113.07 169.83 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 75' ' ' THR . 3.5 mtm180 -83.65 113.89 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ASP . 65.6 mtt-85 -126.05 134.6 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.8 OUTLIER -60.91 115.74 3.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.662 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.4 mtpt -63.85 128.32 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 mtp -56.57 -13.72 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.473 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 35.9 t70 -105.61 32.75 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.36 158.68 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -136.62 151.25 72.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.177 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.841 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 89.98 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.2 p -88.49 27.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.576 HD11 ' HG2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -146.0 132.93 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' PRO . 20.1 m-85 -168.78 172.85 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 60.7 110.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.07 149.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.1 m -122.44 -159.36 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 0.9 OUTLIER 63.24 121.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' CB ' ' O ' ' A' ' 91' ' ' THR . 1.2 t-80 77.35 113.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.6 mm -86.18 128.53 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -17.47 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.64 -79.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.21 50.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.88 -73.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.3 m 54.2 26.28 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -141.29 -43.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -72.62 -36.45 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.5 -166.18 12.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -125.15 104.09 8.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -51.27 141.9 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.07 -52.28 0.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.63 156.23 0.12 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 90.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -92.46 139.56 30.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -98.97 178.35 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -103.89 128.46 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.73 -47.36 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.838 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.02 107.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.41 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.68 52.18 3.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -151.68 159.74 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.17 36.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -86.24 118.98 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -131.55 -72.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.35 96.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.26 23.28 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.33 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -48.16 -59.02 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 157.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.78 18.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.4 mt -42.88 133.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -76.79 154.36 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 49.4 p90 -102.77 113.24 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -110.7 103.56 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -59.32 169.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -69.99 156.57 91.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 138.26 37.39 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -76.3 -11.03 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 146.42 53.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -38.26 7.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.8 mmt180 -83.1 -50.74 8.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -37.89 -55.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -34.53 77.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -66.78 -59.8 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.706 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.5 m95 -44.1 -45.0 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' HD3' ' A' ' 53' ' ' PRO . 59.6 t -73.53 -34.43 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' NE ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -72.74 -23.26 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.656 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.1 mt -85.69 -51.17 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.7 p -57.03 -33.3 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 49.32 69.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 7.3 mmm-85 -90.79 -57.16 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 167.01 74.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 38.42 39.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -94.42 175.93 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.587 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -148.86 147.15 23.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 111.133 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.514 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.81 167.06 25.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.71 37.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.69 -93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -134.92 1.31 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -40.32 123.69 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -140.36 166.2 25.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.1 mt -138.01 141.21 40.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.609 ' HB3' HD13 ' A' ' 27' ' ' ILE . 20.5 m -60.37 163.56 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.4 p -91.46 -5.49 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -76.0 -27.97 57.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.598 ' O ' HD13 ' A' ' 86' ' ' ILE . 75.5 m-70 -64.78 -45.29 86.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 45.8 m-85 -77.06 142.76 39.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.76 -97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.54 -36.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -9.61 33.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' O ' HD22 ' A' ' 78' ' ' LEU . 38.4 m -88.97 -8.82 53.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CE1' HD23 ' A' ' 78' ' ' LEU . 79.0 m-85 -110.98 172.06 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -104.69 95.93 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -112.52 -35.29 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 t -66.44 -10.03 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.34 -73.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -132.06 -151.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.88 145.99 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.8 mtt180 -121.35 131.67 54.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -71.84 120.77 17.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.715 ' N ' HD13 ' A' ' 78' ' ' LEU . 4.1 mtpp -74.12 135.55 42.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ptm -56.83 -22.34 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.78 15.49 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -106.96 133.18 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.706 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -119.11 151.64 50.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 111.173 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.656 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 77.65 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -80.84 44.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 63' ' ' HIS . 2.5 mp -139.42 -84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.0 m-85 45.29 82.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 89' ' ' PHE . 2.1 p30 -120.26 -161.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -123.61 95.91 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 p -118.04 175.49 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' THR . 6.4 t -169.86 32.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.37 73.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mm -105.25 75.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 p -107.85 -61.99 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.99 78.45 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 67.23 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.13 155.97 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.5 p -98.19 -39.15 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.467 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.18 5.54 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t 62.02 52.26 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.3 18.97 10.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -162.02 150.47 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -117.01 -28.66 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.26 133.18 11.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mtm -94.67 151.22 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 137.09 34.63 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 10' ' ' THR . 51.7 m -121.81 1.42 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.57 154.18 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.08 126.41 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.2 -24.79 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.683 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -59.41 103.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.59 -29.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.02 75.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.5 t -156.14 161.49 40.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.61 21.63 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.6 m -96.62 109.94 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -119.44 -53.36 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -154.7 -68.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 70.82 172.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.47 -34.84 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 26.8 p80 -115.23 59.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.98 148.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -11.43 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD ' ' A' ' 62' ' ' LYS . 9.0 mt -49.23 144.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -176.36 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 58' ' ' PHE . 18.6 m-85 -130.56 107.58 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' ND1' ' HB2' ' A' ' 78' ' ' LEU . 98.2 m-70 -113.82 101.23 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -179.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 5.8 m-85 -75.21 153.79 86.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 135.89 31.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -69.5 -17.9 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.0 144.46 72.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.48 10.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -57.62 -45.86 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.89 -48.32 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.75 -56.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.98 -39.57 95.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -58.72 -61.51 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.747 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.2 m95 -40.96 -44.9 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.34 -28.29 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -78.51 -26.91 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.0 mt -81.56 -46.72 14.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 14' ' ' ALA . 3.7 p -57.27 -23.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.05 69.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -128.17 162.83 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 49' ' ' LYS . 5.6 mmpt? -59.05 -152.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -77.6 50.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -94.52 142.24 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.4 145.63 55.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.84 -166.65 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.229 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.33 19.35 9.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -148.18 -156.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -14.22 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.52 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -43.88 114.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -139.51 160.39 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 11.0 mt -124.55 139.94 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.0 m -63.71 169.36 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HG ' ' HZ ' ' A' ' 69' ' ' PHE . 1.8 t -90.14 -33.02 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.662 ' CD ' HD11 ' A' ' 27' ' ' ILE . 9.7 mtpm? -42.78 -42.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.537 ' O ' HD13 ' A' ' 86' ' ' ILE . 60.9 m-70 -55.62 -56.55 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -68.55 160.62 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.74 -97.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.762 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -146.69 -40.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -12.09 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -92.99 1.04 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.686 ' CE1' HD23 ' A' ' 78' ' ' LEU . 86.6 m-85 -119.3 -174.78 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.7 t70 -103.74 78.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -71.52 -33.51 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -77.97 0.91 22.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.19 170.88 19.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -40.66 -42.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -147.61 166.9 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 2.9 ttp180 -64.98 100.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.8 mtp180 -112.97 127.63 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -65.22 120.12 12.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.8 mtpt -71.43 137.32 48.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.7 mtm -60.63 -12.89 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.93 25.14 12.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -111.52 129.53 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -117.41 151.84 48.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.78 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.9 p -87.44 31.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 63' ' ' HIS . 3.0 mt -128.6 -79.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.69 -174.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.27 13.89 9.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -132.52 179.79 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.94 171.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -38.19 102.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 93' ' ' ILE . 11.5 t-160 -121.43 -73.3 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.517 HG23 ' CD2' ' A' ' 92' ' ' HIS . 3.1 pt -125.88 27.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.76 86.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.48 -178.49 15.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.49 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 71.52 70.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -132.68 98.73 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.454 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 38.75 31.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -100.45 111.68 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.5 93.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 3' ' ' SER . 1.4 m -69.76 75.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 -4.09 5.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.24 -27.8 73.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.64 149.06 23.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.54 0.686 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 73.12 1.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.31 146.48 48.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.25 168.3 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.87 131.7 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -59.31 -43.32 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -34.45 137.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.52 105.16 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.11 -5.42 23.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.8 t -86.2 147.14 26.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.534 HG21 ' SG ' ' A' ' 60' ' ' CYS . 53.1 m -115.35 109.25 17.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -144.59 -65.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -117.91 -65.65 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 57.41 165.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -44.13 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -108.91 -81.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER 58.63 152.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -144.5 9.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.9 mt -39.74 152.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -102.11 137.13 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.4 m-30 -85.09 108.13 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 94.5 m-70 -110.27 106.7 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -61.06 171.22 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.8 m-85 -64.33 156.2 77.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 141.63 45.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -75.6 -18.07 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -77.56 149.58 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.8 Cg_endo -69.79 -46.78 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -49.28 -50.43 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.3 mmt180 -79.1 -51.84 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.22 -49.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 9.0 mtpt -68.4 -37.77 80.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -63.42 -61.4 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.732 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.6 m95 -40.91 -47.95 3.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 51' ' ' PHE . 36.2 t -68.51 -33.31 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -77.08 -21.94 53.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.3 mt -87.45 -47.46 8.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.803 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.9 p -57.87 -26.3 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.13 73.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.78 83.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.5 mttt 40.99 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.08 22.42 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -55.34 163.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.622 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -145.31 145.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.21 57.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 35.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -156.52 -92.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -5.66 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -38.83 116.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -137.07 164.0 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -136.81 139.32 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' HB3' HD13 ' A' ' 27' ' ' ILE . 16.6 m -62.37 -174.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -20.06 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HG3' HD11 ' A' ' 27' ' ' ILE . 6.2 mttm -60.34 -21.99 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -77.56 -36.0 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.2 m-85 -98.78 136.26 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -62.72 -97.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.46 -40.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -8.44 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.45 -7.43 56.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 78' ' ' LEU . 95.2 m-85 -110.94 -175.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' ARG . 1.1 t0 -117.56 93.38 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -98.93 -32.93 11.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 t -73.45 -0.23 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 74' ' ' GLN . . . -126.45 38.03 2.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.543 ' O ' HG22 ' A' ' 75' ' ' THR . 2.6 tp-100 78.84 139.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 74' ' ' GLN . 10.0 t 43.37 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.38 110.93 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' ASP . 44.2 mtt180 -121.61 128.08 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.22 113.06 2.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.597 ' N ' HD13 ' A' ' 78' ' ' LEU . 2.5 mtpm? -55.23 121.03 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.22 -18.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 35.99 2.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.2 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -124.88 151.95 69.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.654 0.74 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.697 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 89.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -79.56 3.0 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.8 122.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' CE1' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -142.26 -61.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.28 160.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 87' ' ' PHE . 4.1 m-85 -119.85 -51.74 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.4 t 72.06 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.9 m -48.0 110.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.54 166.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.1 141.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.05 -171.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.91 179.7 18.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.746 2.297 . . . . 0.0 112.327 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.19 100.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 m -126.2 -37.89 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.491 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -128.4 20.7 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -101.96 110.59 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 117.17 0.74 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -174.07 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.65 165.33 29.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.98 -146.01 16.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.95 144.22 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.44 3.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 m -59.7 151.08 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 1.3 p30 -154.96 169.69 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 15.0 t -34.73 141.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -78.12 -41.45 35.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.913 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -39.5 142.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.89 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.46 96.96 2.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 42.1 t -139.19 -61.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 74.65 78.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.422 HG21 ' SG ' ' A' ' 60' ' ' CYS . 7.4 m -155.37 121.88 5.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -108.96 -66.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ASN . 2.0 t80 -141.26 -41.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' TYR . 1.6 m-20 36.9 90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -74.41 -8.47 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.4 -3.35 49.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.8 mp -130.84 -46.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 25' ' ' ILE . 1.1 m-20 80.61 24.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.9 mt -38.17 143.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.79 165.43 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 6.3 m-85 -122.65 105.84 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 68.5 m-70 -112.23 104.82 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 160.77 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 15.6 m-85 -51.13 159.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.3 Cg_endo -69.79 173.16 11.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -112.47 1.51 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 151.37 41.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.69 37.72 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -79.02 -48.13 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -74.84 -42.16 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 ttm-85 -45.8 -52.26 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.35 -33.12 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.17 -59.11 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.703 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.7 m95 -52.84 -43.72 66.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 39' ' ' ARG . 57.9 t -69.48 -28.91 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.78 -28.53 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.3 mt -81.88 -28.52 32.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' HA ' ' A' ' 14' ' ' ALA . 8.4 p -85.21 -24.33 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 46.12 68.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.837 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -108.81 32.32 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' PHE . 10.4 tppt? 73.86 64.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t30 38.46 30.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.74 174.61 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -130.05 145.08 55.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.141 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 54.1 Cg_endo -69.79 144.68 54.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -122.0 -81.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.13 -71.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -58.17 -37.19 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.43 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -41.0 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.31 170.44 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 17.3 mt -130.86 144.4 51.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' HG21 ' A' ' 19' ' ' THR . 28.6 m -66.35 165.76 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -47.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -39.11 -31.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.741 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.8 m-70 -56.8 -55.72 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 78' ' ' LEU . 15.2 m-85 -66.96 153.65 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.705 ' CG ' HD11 ' A' ' 86' ' ' ILE . 39.1 mt-10 -79.83 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.547 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -151.37 -39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -8.06 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 67.2 m -84.65 -4.35 58.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -105.59 176.6 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -96.82 69.5 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.784 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.95 -62.15 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.53 -22.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.177 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -75.22 -129.37 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.502 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.46 -44.05 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.75 154.55 44.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.4 90.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' HG3' HG23 ' A' ' 75' ' ' THR . 49.3 mtt180 -112.42 130.95 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.62 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -66.76 115.0 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -68.85 147.41 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -40.08 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 14.7 m-20 -85.75 28.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.62 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -109.11 125.63 52.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.9 150.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.832 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.78 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.1 p -85.09 47.57 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 63' ' ' HIS . 83.4 mt -148.99 -91.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.5 m-85 63.9 90.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.41 85.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -86.63 71.11 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER 76.94 94.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.46 7.13 28.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.73 167.83 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 pt -86.67 109.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 p -173.77 155.74 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.72 177.18 41.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.8 p -101.48 136.93 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 p -67.11 146.42 54.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.55 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m 44.38 35.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 p -106.24 -14.7 15.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.34 82.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -51.29 44.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -134.51 -167.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.46 42.02 2.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.28 146.31 0.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.549 0.69 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.93 4.32 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 56' ' ' HIS . 34.3 p -53.88 154.32 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.1 159.16 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 59' ' ' LEU . 44.4 t -70.07 114.65 8.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -54.6 -18.53 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' N ' HD21 ' A' ' 59' ' ' LEU . . . -39.89 161.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 46' ' ' VAL . . . -102.99 33.09 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.46 50.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 37.7 t -125.39 -82.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 83.38 100.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -124.71 6.29 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -47.31 123.23 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER 34.47 82.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.37 126.66 39.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 133.43 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 56.83 35.84 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -136.02 154.68 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 8.0 m120 -144.92 30.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.474 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.7 mt -44.23 137.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 179.56 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 5.5 m-85 -127.66 103.62 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 94.9 m-70 -103.42 101.74 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.4 169.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.0 157.17 87.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.38 2.35 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.62 141.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.495 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 53.3 Cg_endo -69.76 -16.58 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -75.46 -41.71 54.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.493 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 26.7 mmt180 -93.53 -41.08 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.4 ttt180 -38.3 -36.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -79.41 -45.44 19.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -56.44 -53.62 55.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.79 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.1 m95 -50.47 -58.44 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.833 HG12 ' NE ' ' A' ' 48' ' ' ARG . 23.6 t -60.76 -20.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -86.77 -20.11 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.871 HD13 ' HG2' ' A' ' 84' ' ' PRO . 3.9 mt -87.31 -41.75 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -50.12 -33.8 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 75.46 28.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.833 ' NE ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.22 -152.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 6.0 mtpt -131.61 81.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 51.42 46.63 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -96.48 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.2 t -155.53 145.54 15.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.723 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.638 ' HA ' HG21 ' A' ' 57' ' ' THR . 53.7 Cg_endo -69.79 138.75 38.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.17 -74.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 -45.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.317 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB3' HG22 ' A' ' 10' ' ' THR . 2.1 m80 -110.7 56.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.638 HG21 ' HA ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.04 118.47 34.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -148.6 173.62 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 6.0 mt -139.7 130.78 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 10.3 m -39.97 160.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.3 p -90.94 -38.71 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -34.36 -52.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.2 m-70 -49.06 -60.76 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 78' ' ' LEU . 73.6 m-85 -58.17 146.78 32.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.88 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -94.69 -170.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.58 56.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.44 -0.27 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 m -109.05 -9.96 15.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 65' ' ' GLU . 55.5 m-85 -106.61 174.14 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.753 ' N ' HD23 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.54 -55.4 3.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 72' ' ' THR . 8.2 t -56.87 80.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.93 -32.31 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.22 175.99 9.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -49.22 165.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 104.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -126.5 125.64 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -67.1 113.61 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.2 mtpp -59.86 131.98 52.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -21.6 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.07 34.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -123.52 141.48 51.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -120.26 151.04 52.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.871 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.75 92.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.9 p -74.51 4.97 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.88 HD11 ' HG3' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -134.31 149.68 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -164.01 -66.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.43 -46.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.19 175.65 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.1 t 63.02 117.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -136.49 -71.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.9 101.39 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -98.85 52.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 m 57.0 83.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . -157.22 50.92 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.421 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.1 Cg_endo -69.82 -2.05 9.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -88.7 -84.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 p -111.84 157.52 20.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.479 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -78.32 -32.64 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.57 114.76 29.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.14 -90.53 1.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t 61.5 93.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.99 172.86 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.41 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.78 151.28 73.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.627 0.727 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 131.21 20.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -109.92 132.71 53.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 20' ' ' THR . 4.5 t-20 -138.17 178.63 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.3 t -86.9 137.2 32.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.14 -2.27 50.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.622 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -55.76 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.09 101.67 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 79.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -138.1 -75.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.51 90.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -108.59 6.94 26.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -34.91 -78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.639 ' H ' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -66.23 88.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' HIS . 15.8 m-20 -100.3 90.19 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' HIS . 40.4 mttt -55.64 86.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 24' ' ' HIS . 9.0 t-160 36.83 64.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.5 mt -90.91 -85.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ILE . 7.0 m-20 158.08 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.804 HD11 ' CD ' ' A' ' 62' ' ' LYS . 20.4 mt -48.8 147.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.47 171.97 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 43.5 p90 -117.46 104.48 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 92.7 m-70 -113.45 103.19 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 173.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.44 156.76 91.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.77 138.56 38.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.45 -14.69 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -80.4 147.11 63.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.61 8.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -57.87 -47.75 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 29.0 mmt180 -83.35 -47.67 11.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -40.18 -50.82 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.28 -32.77 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -68.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.778 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -39.21 -33.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' HA ' HG12 ' A' ' 46' ' ' VAL . 42.8 t -86.13 -35.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' CD ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -71.86 -22.91 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.5 mt -84.67 -48.34 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 14' ' ' ALA . 6.6 p -59.9 -11.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER 82.65 -47.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.96 93.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' ARG . 2.5 mtpt -76.27 -46.36 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -77.3 49.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.2 OUTLIER -150.24 153.5 36.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -150.46 144.68 17.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.151 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -171.04 -150.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.815 HG21 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -48.9 124.22 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -146.42 166.51 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 mt -132.63 139.6 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.1 m -63.21 163.69 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.89 -12.85 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.804 ' CD ' HD11 ' A' ' 27' ' ' ILE . 2.0 mtpt -62.3 -45.87 91.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.702 ' O ' HD13 ' A' ' 86' ' ' ILE . 57.7 m-70 -56.55 -47.03 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 60.3 m-85 -62.96 170.45 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.921 ' HG3' HD11 ' A' ' 86' ' ' ILE . 34.3 mt-10 -95.61 -14.84 23.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.98 -7.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.74 0.0 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -107.18 3.15 25.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.615 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 4.1 m-85 -80.54 -178.83 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.1 t0 -103.82 93.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -108.92 -23.64 11.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -19.96 63.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.69 -80.34 1.26 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -119.38 -150.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t -55.17 161.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 100.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' ASP . 49.6 mtp85 -119.1 128.25 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.615 HD23 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -63.85 111.33 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mttp -58.41 137.12 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -7.13 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.6 18.14 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.79 141.81 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.778 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -129.65 151.82 78.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.658 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.3 Cg_endo -69.75 88.62 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 p -78.12 6.97 6.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.921 HD11 ' HG3' ' A' ' 65' ' ' GLU . 1.6 mp -124.55 161.08 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 m-85 174.49 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 85.13 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.92 115.52 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 68.06 97.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.48 -20.4 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.09 149.76 31.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.38 122.65 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.79 148.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.77 -65.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.64 4.18 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.07 13.97 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 m -116.88 178.78 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -158.98 153.77 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -166.69 66.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.18 160.14 21.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.87 93.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.04 100.81 2.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.45 -179.83 18.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtm -45.94 151.86 0.83 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.29 3.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.55 151.65 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -146.47 150.78 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -78.54 131.77 36.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -74.11 -27.74 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.789 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -69.5 103.49 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.4 164.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.53 -46.57 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.97 -80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.83 65.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.25 133.76 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -124.96 -171.74 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -59.37 -56.61 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 75.67 -159.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -90.34 -9.2 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -94.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.1 mm 59.69 150.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 18.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.599 HD11 ' CD ' ' A' ' 62' ' ' LYS . 1.5 mt -74.78 131.93 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -72.89 136.24 45.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 24.4 p90 -94.43 114.82 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -114.37 96.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 164.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 8.7 m-85 -56.46 158.96 7.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.83 151.85 68.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -86.85 -14.13 42.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 149.35 54.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -38.63 7.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -55.94 -43.57 77.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.9 mmt180 -85.99 -49.44 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.9 ttm180 -37.17 -53.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.44 -32.7 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -65.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.736 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.0 m95 -42.72 -46.2 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.0 t -70.25 -31.62 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -32.28 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 84' ' ' PRO . 9.8 mt -75.9 -38.46 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.789 HG23 ' HA ' ' A' ' 14' ' ' ALA . 14.2 p -77.48 -30.93 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 50.0 64.37 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.666 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -110.49 35.7 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER 82.04 -164.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -78.38 46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.52 158.15 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -138.57 144.37 42.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.54 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.9 Cg_endo -69.77 73.85 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.32 -12.41 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -121.34 -170.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -59.56 82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 13' ' ' ALA . 3.5 m -136.48 123.29 21.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -142.37 161.76 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 13' ' ' ALA . 10.4 mt -119.75 138.02 53.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.4 m -63.09 143.17 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -27.83 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 27' ' ' ILE . 3.0 mtpm? -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -59.4 -37.64 78.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 24.5 m-85 -88.6 146.51 25.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.37 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.45 -38.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 m -61.22 -13.7 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' HD22 ' A' ' 78' ' ' LEU . 55.8 m -87.38 -0.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.618 ' CE1' HD23 ' A' ' 78' ' ' LEU . 92.1 m-85 -121.52 175.71 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -108.16 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -67.33 -70.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -37.23 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.36 161.28 34.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.31 -39.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t -151.02 154.63 37.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 71' ' ' LEU . 3.3 ttp180 -57.21 101.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -112.43 128.2 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.618 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -66.2 113.07 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmt -53.43 130.6 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -18.6 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.38 32.91 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . . . -115.29 134.03 55.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.736 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.21 151.33 44.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.742 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 90.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 86' ' ' ILE . 41.1 p -58.26 -11.27 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.538 HG22 ' H ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -133.89 -152.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.538 ' H ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER 167.99 -64.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 71.51 123.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 7.8 p90 -94.19 148.31 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.2 m -102.52 160.19 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -166.8 155.21 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -42.37 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -96.77 132.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.91 61.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.99 159.14 8.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.0 117.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -104.56 -4.72 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.508 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -131.55 -167.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.24 -164.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.26 42.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.04 173.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.88 165.73 32.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.04 69.97 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.97 148.13 31.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.715 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 133.33 25.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.25 . . . . 0.0 112.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m 72.08 136.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.92 153.92 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' SG ' HD23 ' A' ' 59' ' ' LEU . 42.5 t -61.5 132.15 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NH1' ' A' ' 48' ' ' ARG . . . -76.83 -19.85 57.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.831 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -56.46 124.21 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.52 120.55 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.18 23.23 25.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 t -123.27 -66.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.87 105.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.24 127.23 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.49 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -138.1 -41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 t30 60.4 -88.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.2 -42.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.19 22.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.6 139.49 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -129.38 15.55 6.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 60' ' ' CYS . 0.6 OUTLIER -58.1 138.78 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -68.82 164.15 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 15.8 p90 -121.52 106.36 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 89.6 m-70 -114.79 96.42 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.64 177.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.78 155.92 91.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.28 -25.32 54.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 147.06 88.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -42.94 3.02 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.405 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -46.8 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.9 mmt180 -83.15 -52.34 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.3 ttt180 -37.54 -52.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.92 92.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.518 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.98 -57.57 12.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.724 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.6 m95 -46.01 -38.28 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 39' ' ' ARG . 11.7 t -80.63 -26.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.4 35.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.2 mt -88.19 -38.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.831 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.8 p -67.06 -15.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 74.52 47.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' O ' ' A' ' 13' ' ' ALA . 19.2 mtt180 -149.02 56.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.35 -27.7 62.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -68.17 -15.83 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.746 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -104.07 166.64 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.571 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -158.94 145.24 12.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.55 -35.17 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.61 -94.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -132.3 -0.52 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.746 HG21 ' CE1' ' A' ' 51' ' ' PHE . 3.7 m -36.89 125.45 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -141.42 175.48 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 11.2 mt -136.76 142.28 43.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.594 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.1 m -59.91 166.48 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.0 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -42.22 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -50.46 -57.33 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 65.1 m-85 -71.35 141.56 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.56 -97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.94 -37.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 m -60.46 -16.18 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -87.94 -6.96 57.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 78' ' ' LEU . 83.9 m-85 -117.26 175.6 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -104.61 101.34 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -93.31 -69.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.8 t 34.16 33.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 61.69 84.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER 171.15 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.879 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' ARG . 11.7 t -126.09 -153.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 71' ' ' LEU . 3.2 ttp180 -150.59 96.72 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -108.99 128.39 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.587 HD13 ' C ' ' A' ' 78' ' ' LEU . 0.6 OUTLIER -66.69 111.79 3.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.579 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mtpp -67.48 137.35 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.4 mmm -59.02 -22.72 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -96.15 18.99 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.95 132.15 53.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.724 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.48 151.39 56.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.75 80.67 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -88.89 29.48 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.04 -68.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 41.82 65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.34 -165.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -110.7 159.01 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.58 62.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -74.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -87.45 130.89 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -140.52 -58.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.95 68.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.81 72.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -177.74 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 12' ' ' CYS . 8.9 t-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.831 0.348 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.594 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 20.1 t -104.38 135.37 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.755 ' HB1' ' NH2' ' A' ' 48' ' ' ARG . . . -69.18 -37.21 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.839 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -40.98 157.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.43 145.06 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.98 29.11 73.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -103.71 158.53 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.94 51.61 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 20' ' ' THR . 55.9 m -115.8 139.21 50.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -168.22 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t80 176.9 87.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.412 HD11 ' CD ' ' A' ' 62' ' ' LYS . 6.7 mt -62.51 144.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.94 139.2 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 40.7 p90 -88.68 108.81 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 77.4 m-70 -115.05 105.18 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 9.1 m-85 -78.61 154.29 78.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.83 135.82 31.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -70.28 -11.25 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -83.37 144.57 46.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 110.836 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.76 -36.14 11.36 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -59.18 -45.18 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.19 -49.16 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 3.2 ttm180 -37.16 -56.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -62.9 -39.32 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -58.51 -57.92 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 83' ' ' VAL . 11.3 m0 -47.24 -46.81 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HA ' HG12 ' A' ' 46' ' ' VAL . 77.1 t -71.87 -34.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.488 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 ' HG2' ' A' ' 84' ' ' PRO . 8.0 mt -93.76 -44.7 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.4 p -54.19 -16.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.06 74.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.755 ' NH2' ' HB1' ' A' ' 13' ' ' ALA . 12.1 mtm180 -151.0 73.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 48.76 -170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -85.33 25.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -52.94 162.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -134.81 145.38 54.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' A' ' 57' ' ' THR . 54.0 Cg_endo -69.71 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.57 -31.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.97 144.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 62.2 16.5 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -92.96 101.8 14.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.615 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -144.36 160.96 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 58' ' ' PHE . 27.7 mt -129.43 144.42 51.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -71.76 154.5 41.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -75.17 4.64 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' CD ' HD11 ' A' ' 27' ' ' ILE . 41.5 mtpt -86.22 -26.73 24.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 42.5 m-70 -83.07 -11.67 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 57.2 m-85 -101.8 147.23 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 60.9 mt-10 -66.08 -5.21 9.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.69 -48.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -15.82 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 2.53 30.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 7.1 m-85 -85.87 -176.54 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.6 t70 -103.24 59.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.687 HD23 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 76' ' ' ARG . 12.0 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.481 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 ttp180 -168.79 83.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mtt180 -106.19 126.63 52.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -53.03 113.83 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 78' ' ' LEU . 26.4 mtpp -60.97 135.73 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.7 mtm -64.87 -6.59 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.75 20.18 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -101.14 170.96 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -160.31 151.63 16.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.618 0.723 . . . . 0.0 111.124 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.652 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.5 Cg_endo -69.79 92.2 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.3 p -68.37 -10.75 57.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -131.65 -170.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.06 134.48 36.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -59.63 -34.33 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -47.15 140.37 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.58 -10.6 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.47 63.87 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -155.1 -68.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.72 36.06 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 137.66 47.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.5 -75.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.31 148.12 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 60' ' ' CYS . 8.1 mt -40.63 143.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.29 144.07 25.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 22.1 p90 -96.85 111.7 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 94.5 m-70 -116.18 98.07 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.88 176.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CD2' ' HG3' ' A' ' 53' ' ' PRO . 4.5 m-85 -69.89 156.49 91.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.82 140.06 41.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -72.92 -14.39 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.22 147.9 54.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.88 2.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -46.96 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 55.4 mmt-85 -83.49 -49.66 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.58 -54.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -61.32 -34.88 75.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' VAL . 8.7 mm-40 -68.41 -63.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.721 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.4 m95 -38.8 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 51' ' ' PHE . 60.9 t -89.49 -39.36 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -68.2 -37.2 80.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.9 mt -66.76 -56.31 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.735 HG23 ' HA ' ' A' ' 14' ' ' ALA . 4.5 p -55.73 -16.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 42.52 78.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.7 mmm180 -112.57 -11.36 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 61.13 128.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' LYS . 36.2 t30 36.93 56.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -138.06 151.51 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -163.47 144.47 7.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.83 175.78 7.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.17 35.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 1.1 ttpt -169.24 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -123.55 -5.79 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -37.59 122.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -148.15 166.23 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -132.31 140.2 48.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 27' ' ' ILE . 10.4 m -64.81 155.62 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -87.32 -15.42 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 1.3 ptmm? -57.07 -39.09 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' HD13 ' A' ' 86' ' ' ILE . 50.2 m-70 -67.91 -43.75 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HA ' HD13 ' A' ' 86' ' ' ILE . 32.8 m-85 -60.71 165.68 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 2.9 mm-40 -87.77 -13.45 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 77.48 -9.46 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.4 0.96 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.495 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.13 -0.49 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.738 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -81.8 179.19 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -119.3 102.21 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.14 104.51 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' ASP . 20.4 mtt180 -118.33 125.45 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.738 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -68.69 120.68 15.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.733 ' N ' HD13 ' A' ' 78' ' ' LEU . 22.3 mtpp -71.22 127.22 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -15.06 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.71 9.41 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -101.61 156.17 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -141.57 151.04 59.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.131 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.842 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.81 77.01 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.5 p -88.13 42.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.56 HD11 ' HG2' ' A' ' 65' ' ' GLU . 2.9 mp -139.69 -73.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.6 136.92 49.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . . . -82.4 -29.95 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.713 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.59 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -42.64 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.26 -45.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 6.0 t -77.83 156.92 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.76 115.95 10.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.85 135.04 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -128.07 171.18 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' THR . 31.9 t80 -35.82 -53.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.773 0.321 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.799 HD11 ' HD2' ' A' ' 62' ' ' LYS . 8.7 mt -53.99 134.51 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.33 131.19 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 42.8 p90 -80.3 103.99 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 97.5 m-70 -106.17 99.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.76 171.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 57' ' ' THR . 10.7 m-85 -64.43 154.25 84.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.73 145.16 56.49 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -77.79 -17.94 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.09 145.41 60.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.05 17.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -42.03 96.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 30.1 mmt180 -88.89 -47.85 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -37.4 -49.07 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -70.3 -38.63 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.633 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.46 -57.88 10.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -47.02 -45.34 21.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 51' ' ' PHE . 21.7 t -74.85 -25.13 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -82.76 -20.75 35.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.4 mt -90.81 -24.91 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 14' ' ' ALA . 7.8 p -88.26 -10.76 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 39.07 74.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 51' ' ' PHE . 2.3 mtp85 -117.85 30.51 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.08 -155.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.18 52.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.5 150.06 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -128.29 144.37 51.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 111.138 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.3 Cg_endo -69.78 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 -85.03 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 5.7 ttpt -139.24 146.47 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.536 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER 74.6 -1.09 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.79 113.15 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -142.42 166.52 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 10.1 mt -132.39 139.63 48.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 16.0 m -66.91 138.05 57.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.4 p -66.38 -30.98 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.799 ' HD2' HD11 ' A' ' 27' ' ' ILE . 2.6 mtpt -44.02 -45.8 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 42.2 m-70 -60.27 -39.95 88.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 26.5 m-85 -66.04 167.12 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -83.96 -14.77 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.51 -11.5 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -0.05 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.413 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.93 -2.37 29.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.797 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -79.91 179.38 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -125.8 84.18 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD22 ' HG3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.731 0.301 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.767 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -87.08 98.0 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASP . 52.4 mtt-85 -106.35 126.95 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.797 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.95 123.51 23.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.789 ' N ' HD13 ' A' ' 78' ' ' LEU . 33.3 mttm -67.08 123.52 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.8 mtm -53.26 -16.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.04 22.35 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -110.82 141.51 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -126.26 151.88 72.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 111.153 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.611 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.7 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -79.76 10.07 4.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -141.26 126.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 11' ' ' ASN . 19.4 t -100.52 134.4 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.69 -18.79 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -53.96 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.04 -89.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.97 87.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.4 t -142.3 154.27 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.46 48.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 HG21 ' SG ' ' A' ' 60' ' ' CYS . 3.5 m -115.38 114.62 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -163.14 -51.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -139.68 97.18 3.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.331 . . . . 0.0 110.839 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 26.7 mt -44.61 149.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 p -98.38 176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 23.8 p90 -125.31 106.67 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 95.6 m-70 -105.69 96.82 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -53.78 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.91 154.74 86.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 140.49 42.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -76.54 -9.86 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 147.89 47.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -38.53 7.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -57.95 -47.63 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.6 mmt180 -82.17 -47.51 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 ttt180 -39.8 -52.44 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.69 -30.3 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.9 mm-40 -69.71 -62.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.742 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.3 m95 -43.28 -31.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 51' ' ' PHE . 42.5 t -88.76 -34.12 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -73.79 -21.23 60.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -85.05 -54.49 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -54.04 -15.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 35.3 77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 7.5 mmm180 -123.64 30.16 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 78.56 -153.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 50' ' ' ASN . 3.1 t-20 -76.35 54.36 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.62 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -98.78 139.14 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.04 146.22 60.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.1 Cg_endo -69.78 129.67 17.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.92 -76.82 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -81.79 60.77 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 106.32 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -139.1 161.9 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 9.1 mt -132.99 141.0 48.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 19' ' ' THR . 15.0 m -64.12 144.01 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -26.35 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -48.97 -38.06 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.1 m-70 -68.17 -37.79 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.8 m-85 -68.88 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -83.71 -14.78 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.6 -11.69 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 t -80.93 0.11 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.429 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.04 0.72 38.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.802 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -82.3 179.9 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -103.66 99.84 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HE ' ' A' ' 76' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.614 ' HE ' HD21 ' A' ' 71' ' ' LEU . 2.8 ttt180 -56.87 102.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.1 mtt180 -126.45 128.96 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.802 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -62.0 111.84 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.9 mtpp -56.7 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mtm -64.82 -6.63 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.76 20.26 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.434 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -106.83 151.37 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -135.74 151.25 73.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.714 . . . . 0.0 111.114 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.811 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 90.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -73.44 2.85 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -127.43 150.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 46' ' ' VAL . 1.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -86.86 116.98 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.94 -41.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.659 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.19 129.23 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.11 -131.17 3.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 5.4 t 56.16 162.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.501 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.64 73.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.509 HG21 ' SG ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -120.65 133.44 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.2 -90.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -124.98 -61.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.17 139.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 m -82.72 168.07 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 9.6 m-85 -118.25 107.07 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 75.7 m-70 -110.7 104.22 12.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.58 177.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.12 155.13 93.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.8 143.82 51.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -78.88 -15.47 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.92 145.56 57.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.95 22.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.19 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.1 mmt180 -86.57 -46.87 9.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -39.56 -53.77 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -65.8 -27.05 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -72.18 -63.83 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.774 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -39.83 -45.26 1.75 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 51' ' ' PHE . 59.6 t -70.16 -33.97 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -78.87 -19.99 50.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 84' ' ' PRO . 13.0 mt -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -53.67 -21.86 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 65.74 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -147.97 -39.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tttm 67.14 -72.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 58.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -153.93 162.58 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.535 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -160.67 145.54 10.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.107 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.59 -76.01 1.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.601 ' CG ' ' CE1' ' A' ' 56' ' ' HIS . 5.4 ptmt -164.96 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -89.75 -1.73 58.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.6 m -84.6 129.57 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -145.34 172.18 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 7.3 mt -130.41 133.41 46.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 19' ' ' THR . 12.7 m -60.26 155.36 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p -90.22 -16.54 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -56.77 -39.93 74.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 50.6 m-70 -66.25 -48.69 69.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 86' ' ' ILE . 19.0 m-85 -49.78 170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 42.1 mt-10 -91.28 -14.14 31.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 76.76 -8.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.23 0.63 35.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.482 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.62 -5.13 24.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.875 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -79.76 164.75 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -95.89 80.9 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.785 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 76' ' ' ARG . 9.0 t . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.801 0.334 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.46 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mtm180 -116.85 110.07 17.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.99 129.34 55.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.875 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -68.46 117.23 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.684 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.3 mttm -51.33 127.36 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -7.51 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.24 12.84 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -92.61 157.89 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -144.25 150.65 49.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.183 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.646 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.77 92.63 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 p -89.75 51.23 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -148.32 -93.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 8.0 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' CYS . 11.3 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 48.6 t -35.96 121.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -25.13 68.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.731 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -51.1 100.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.17 109.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.73 34.47 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.0 t -144.13 -76.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 68.22 76.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.27 131.42 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -116.04 -84.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -125.16 140.94 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 mt -47.5 140.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -101.86 143.73 31.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 51.4 p90 -86.3 112.58 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 77.0 m-70 -112.42 95.4 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -53.61 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-85 -79.74 153.42 75.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.7 0.762 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.85 148.71 65.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -82.52 -9.71 59.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -86.04 145.21 40.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.2 Cg_endo -69.81 -31.01 21.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -64.88 -42.33 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.6 mmp_? -87.68 -49.19 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.5 ttt180 -38.54 -50.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -65.42 -35.23 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -65.9 -62.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.77 ' CD1' HG12 ' A' ' 83' ' ' VAL . 19.5 m95 -40.14 -36.94 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG13 ' CD2' ' A' ' 51' ' ' PHE . 42.2 t -86.43 -32.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -72.87 -20.51 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.0 mt -88.26 -52.72 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.731 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -50.98 -20.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 63.82 68.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -138.64 95.49 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 144.16 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.61 31.51 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD2' HG13 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -132.45 138.22 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.53 144.46 53.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 147.63 63.09 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.51 -97.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -123.18 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 11.5 m-70 79.19 -54.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -36.67 116.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -144.86 170.03 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 18.3 mt -131.82 144.26 50.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.5 m -67.55 151.91 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 5.3 p -84.79 -18.33 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -56.44 -39.4 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.441 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 45.1 m-70 -64.75 -47.84 76.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -54.05 165.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.733 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -83.97 -14.79 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.56 -11.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -0.05 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.91 -4.53 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.8 m-85 -79.48 166.75 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.4 t0 -97.57 87.97 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.755 0.312 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -66.83 97.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.6 mtt-85 -113.44 130.1 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.871 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.1 tm? -62.43 119.57 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.716 ' N ' HD13 ' A' ' 78' ' ' LEU . 13.9 mttt -55.68 119.36 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mtm -52.77 -17.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -100.11 22.05 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -108.72 149.22 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -132.44 152.19 79.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.649 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.3 Cg_endo -69.79 69.97 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.9 p -82.12 41.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 65' ' ' GLU . 12.1 mt -139.94 -81.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 35.4 t -81.19 119.89 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.76 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -55.59 124.49 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 127.9 33.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.75 60.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 46.6 t -111.32 116.2 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.74 76.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.63 132.68 36.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.8 p -149.93 -89.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -58.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 62' ' ' LYS . 1.3 mt -34.39 149.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -86.42 173.08 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 11.7 p90 -125.14 107.79 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 96.3 m-70 -114.61 105.1 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.1 155.19 74.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.733 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.78 137.69 35.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.78 -16.42 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.65 143.95 68.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -33.97 15.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.1 -43.47 98.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 61.7 mmt-85 -87.56 -49.62 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.4 ttm180 -36.72 -53.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 4.8 mmmm -65.89 -39.99 91.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -53.52 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.727 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.2 m95 -52.27 -43.41 64.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 51' ' ' PHE . 22.3 t -76.19 -28.4 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -79.17 -23.76 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.9 mt -87.39 -40.8 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 42' ' ' TRP . 4.0 p -70.3 -17.95 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 36.55 85.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -145.78 92.02 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt 47.37 32.67 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 39.9 30.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.808 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.3 OUTLIER -54.03 -173.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.602 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -139.13 145.74 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 111.171 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' HG21 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.71 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.16 44.55 3.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' THR . 1.2 mttt -178.32 -173.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -40.42 -28.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.808 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -36.05 121.89 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -146.64 171.44 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.3 mt -134.63 137.71 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' HB3' HD13 ' A' ' 27' ' ' ILE . 31.9 m -55.62 163.15 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -9.62 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' A' ' 27' ' ' ILE . 52.3 mttt -71.01 -41.42 70.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -56.89 -31.45 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.7 m-85 -93.68 160.12 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.775 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -99.56 -165.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.19 -25.54 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -1.88 36.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 8.4 m -100.46 -6.64 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 78' ' ' LEU . 74.9 m-85 -108.81 178.94 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -123.77 85.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.796 ' H ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.786 0.327 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.447 ' N ' ' OG1' ' A' ' 75' ' ' THR . 5.9 mtm180 -103.39 117.62 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ASP . 19.4 mtt180 -129.33 126.65 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -68.47 112.67 5.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 78' ' ' LEU . 11.9 mtpp -55.88 139.21 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -10.65 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.88 25.43 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.76 133.23 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.59 151.57 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.784 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.73 91.14 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.0 p -88.57 -11.52 45.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.775 HD11 ' HG3' ' A' ' 65' ' ' GLU . 3.4 mt -90.17 -67.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 84' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.5 129.4 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 51' ' ' PHE . . . -67.71 -31.88 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -35.98 138.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.83 108.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.35 72.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 t -148.77 -64.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 19' ' ' THR . . . 63.13 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 83.39 6.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 p -43.18 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.18 134.44 53.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 28' ' ' SER . 8.1 mt -79.1 139.78 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.416 ' O ' HG22 ' A' ' 27' ' ' ILE . 15.5 m -80.36 177.22 9.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 18.7 p90 -127.3 108.38 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 86.3 m-70 -114.62 97.12 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 6.6 m-85 -67.91 156.89 88.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.73 139.81 41.25 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -73.82 -11.59 60.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.33 146.23 44.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 0.0 110.891 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -56.4 -43.4 79.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -85.27 -50.08 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.69 -51.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -64.41 -39.71 94.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HB3' HG11 ' A' ' 83' ' ' VAL . 2.2 mm-40 -60.05 -59.43 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.876 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -44.76 -54.41 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG13 ' HD1' ' A' ' 51' ' ' PHE . 41.1 t -62.39 -23.68 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -90.6 -20.12 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.7 mt -88.55 -41.4 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.3 p -61.61 -29.97 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.72 85.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -143.67 155.71 44.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -96.71 125.9 41.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 48.95 36.66 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -100.99 155.92 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -176.43 144.64 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.7 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.294 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.59 -39.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 3.4 tttp -169.91 125.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 1.8 m170 77.66 -0.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.557 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -83.56 115.46 22.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -147.3 163.97 34.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 59' ' ' LEU . 11.7 mt -127.07 137.25 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.2 m -55.71 167.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.0 p -96.68 -17.41 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -61.73 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -64.21 -60.38 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.78 150.79 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -76.39 -97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.825 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -150.12 -38.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -10.49 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 1.6 m -88.03 -0.36 56.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 92.2 m-85 -114.17 -178.84 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.5 t70 -103.71 75.96 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -113.35 96.3 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASP . 57.1 mtt180 -112.45 130.06 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -62.88 110.89 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.7 mtpp -49.7 130.85 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mtp -59.17 -11.9 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.43 28.79 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -108.85 139.56 43.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.3 151.13 58.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.699 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.8 88.46 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -91.37 19.7 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.79 -65.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 34.8 t -49.03 108.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -34.42 -43.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -46.3 143.53 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.24 -56.97 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.58 61.97 4.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.67 153.8 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.57 34.79 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -92.89 114.48 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 p -137.25 -70.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -96.73 -77.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.9 134.24 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -105.96 177.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 3.5 m-85 -119.2 105.45 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CD2' ' CB ' ' A' ' 78' ' ' LEU . 13.2 m80 -114.75 102.26 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.74 179.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.84 155.77 84.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.694 0.759 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.2 Cg_endo -69.76 151.73 69.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -83.44 -22.65 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -73.73 148.5 87.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.75 -39.55 6.4 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.58 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 11.5 mmp_? -85.74 -50.75 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 ttt-85 -37.25 -52.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 10.9 mtpt -66.8 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -64.3 -61.55 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.3 m95 -41.13 -34.68 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 13.6 t -84.91 -30.7 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.5 ttm-85 -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.4 mt -82.36 -49.6 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.6 p -50.6 -18.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 37.8 mtt180 77.25 40.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -105.73 -74.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER 77.15 -52.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.87 23.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.13 150.4 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.46 145.4 43.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.15 4.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 55' ' ' LYS . . . -116.97 53.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER 79.92 -53.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -80.3 44.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.416 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -126.2 123.77 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.1 150.38 34.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -125.0 138.82 54.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.2 m -57.23 171.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -97.25 -24.43 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -55.21 -38.03 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.573 ' O ' HD13 ' A' ' 86' ' ' ILE . 88.9 m-70 -56.88 -53.52 57.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 92.3 m-85 -70.21 129.49 39.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.54 -97.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.99 -39.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 p -59.7 -10.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.544 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -85.82 -15.46 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -106.62 157.73 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.25 102.7 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.721 0.296 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.99 125.66 23.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -128.86 128.7 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' CB ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -60.04 110.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.1 mtpm? -67.69 136.26 54.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 ptp -56.39 -24.27 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.07 20.72 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -103.67 131.93 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.77 151.59 60.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 86.64 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -78.42 8.11 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 63' ' ' HIS . 1.1 mp -135.72 151.62 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.461 ' ND2' ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.895 0.379 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 37.4 t -46.14 129.01 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.937 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -69.15 -40.17 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.79 121.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 98.15 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.92 39.35 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 t -130.81 -72.8 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 81.4 118.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -170.96 130.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -141.82 -89.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.3 159.8 35.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.403 HD13 ' HB3' ' A' ' 60' ' ' CYS . 3.1 mt -63.41 142.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.8 p -78.98 -179.5 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 44.8 p90 -132.41 109.64 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -116.23 98.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.6 175.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE1' HG22 ' A' ' 57' ' ' THR . 7.1 m-85 -68.12 156.11 90.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.79 140.46 42.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.64 -19.83 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -78.74 148.45 72.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.72 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -47.63 -42.93 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.4 mmt180 -86.73 -52.07 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -36.63 -56.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -62.56 -34.15 76.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -63.88 -59.4 4.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.685 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.8 m95 -46.42 -41.24 13.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 15.1 t -75.42 -31.56 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.54 -26.48 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 84' ' ' PRO . 10.3 mt -85.49 -24.38 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 42' ' ' TRP . 9.0 p -96.64 -27.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 67.22 -72.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 35.56 33.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ARG . 17.6 mmtp 65.61 -152.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -76.91 51.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -89.0 159.95 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -149.65 146.38 20.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 85.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.84 -55.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -87.88 -169.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 83.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.937 HG23 ' HB2' ' A' ' 13' ' ' ALA . 5.9 m -126.64 126.38 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -144.28 172.42 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.1 mt -130.29 135.62 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' HD13 ' A' ' 27' ' ' ILE . 29.3 m -58.26 163.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -5.77 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 2.0 ptmt -73.43 -30.74 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 90.2 m-70 -62.6 -52.54 62.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 74.7 m-85 -70.49 -178.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 mm-40 -108.08 -97.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -156.37 -41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.3 m -60.52 -10.49 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.772 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 37.4 m -91.03 0.0 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.802 ' HB2' HD11 ' A' ' 71' ' ' LEU . 50.8 m-85 -113.28 -177.77 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.405 ' C ' HD13 ' A' ' 71' ' ' LEU . 2.1 t0 -100.88 77.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.729 0.3 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -64.37 97.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 48.1 mtt-85 -116.64 128.89 55.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -59.59 111.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.569 ' N ' HD13 ' A' ' 78' ' ' LEU . 15.5 mtpp -54.58 134.02 46.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -17.52 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -111.38 27.28 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.73 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.685 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.15 151.55 45.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 111.101 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.704 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.81 84.09 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.411 ' C ' HG13 ' A' ' 86' ' ' ILE . 43.4 p -85.78 38.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HG3' ' A' ' 65' ' ' GLU . 7.3 mt -150.43 -69.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.877 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 10.9 t -106.0 125.43 50.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -46.93 139.31 5.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.03 128.47 35.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.8 33.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.432 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -120.91 -68.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.95 82.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.43 135.36 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -141.44 -157.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -60.98 -32.78 72.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -37.03 143.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.48 157.37 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -103.08 110.89 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 91.5 m-70 -116.16 97.33 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -178.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 11.5 m-85 -72.03 156.34 90.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 147.45 62.74 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -81.14 -9.82 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.67 40.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.91 17.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.67 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLU . 4.9 mmp_? -87.43 -50.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -36.51 -53.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -64.67 -37.52 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HB3' HG11 ' A' ' 83' ' ' VAL . 8.0 mm-40 -63.43 -56.44 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.1 m95 -45.99 -47.52 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.95 -22.49 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -87.83 -22.31 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 84' ' ' PRO . 5.4 mt -87.8 -15.79 35.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 46' ' ' VAL . 7.6 p -97.49 -12.25 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.03 79.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 6.7 mmm180 -122.56 127.35 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -63.26 124.87 22.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 38.81 57.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 18.1 t80 -116.49 161.43 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.509 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -169.93 145.05 2.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.148 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.6 Cg_endo -69.77 155.12 66.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.6 -74.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.603 ' CE ' ' CE1' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -129.62 146.48 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.603 ' CE1' ' CE ' ' A' ' 55' ' ' LYS . 36.8 m80 51.99 18.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.62 103.34 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -146.29 154.35 41.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.04 145.25 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.65 171.8 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -95.09 -0.57 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 6.9 mmmm -77.14 -41.15 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -53.64 -51.79 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.545 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 68.6 m-85 -74.11 147.78 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.5 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.29 -42.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -19.71 31.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 m -83.96 -16.87 42.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 81.2 m-85 -99.85 -174.67 2.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -125.94 33.16 5.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.808 0.337 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.607 ' HG3' HD23 ' A' ' 71' ' ' LEU . 6.4 mtp180 -57.05 144.23 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ASP . 11.4 mtt-85 -148.1 126.34 12.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.694 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -79.85 116.19 19.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -66.08 137.68 57.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 ptm -56.54 -20.72 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.413 ' OD1' ' NH1' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -100.57 24.68 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -112.7 131.81 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.97 151.75 58.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.75 81.33 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 3.0 p -85.65 20.35 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.83 -69.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.73 146.98 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.758 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -94.77 -27.32 15.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 63' ' ' HIS . . . -51.38 155.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB2' ' NH1' ' A' ' 48' ' ' ARG . . . -99.35 141.53 32.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.81 21.42 79.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 21.6 t -114.79 -80.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 72.62 57.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -104.6 122.83 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.03 -66.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -119.64 127.05 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.541 ' ND2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.861 HD11 ' HD2' ' A' ' 62' ' ' LYS . 3.5 mt -34.76 148.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.22 154.51 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -97.49 105.88 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.538 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.9 m-70 -106.78 102.1 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 172.63 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.7 m-85 -77.27 156.17 81.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.82 127.1 14.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.273 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -5.38 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -88.16 143.99 33.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.842 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.77 29.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -66.4 -53.74 32.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 mtt85 -82.57 -40.54 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.9 ttp85 -36.73 -49.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -68.68 -36.06 78.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.633 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.3 mm-40 -62.59 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.776 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.9 m95 -46.44 -33.02 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.745 HG11 ' O ' ' A' ' 51' ' ' PHE . 21.3 t -86.64 -31.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -76.13 -20.92 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.3 mt -83.14 -48.92 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 2.2 p -55.79 -24.19 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -4.67 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.569 ' NH1' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -42.18 159.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' PHE . 5.9 ttpp -62.45 77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' LYS . 29.7 m120 34.44 35.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.745 ' O ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -68.53 174.16 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.504 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -144.83 146.82 32.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.754 . . . . 0.0 111.096 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.0 41.95 1.48 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 1.6 ttpt 179.2 -151.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.541 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -62.12 -11.1 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.868 HG22 ' CE1' ' A' ' 32' ' ' PHE . 94.8 m -44.01 114.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -146.41 148.97 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 13' ' ' ALA . 3.9 mt -113.74 133.29 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 27' ' ' ILE . 26.3 m -59.92 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.2 p -101.93 -24.36 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.861 ' HD2' HD11 ' A' ' 27' ' ' ILE . 9.5 mttm -62.97 -25.1 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' HD12 ' A' ' 86' ' ' ILE . 96.0 m-70 -64.41 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CD2' HD21 ' A' ' 78' ' ' LEU . 21.9 m-85 -88.21 148.05 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 86' ' ' ILE . 2.1 mt-10 -60.95 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 -42.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.78 -10.74 50.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.73 -3.94 57.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 64' ' ' PHE . 71.1 m-85 -107.55 179.81 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -108.65 89.58 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 75' ' ' THR . 3.5 mtm180 -83.65 113.89 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ASP . 65.6 mtt-85 -126.05 134.6 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.8 OUTLIER -60.91 115.74 3.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.662 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.4 mtpt -63.85 128.32 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 mtp -56.57 -13.72 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.473 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 35.9 t70 -105.61 32.75 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.36 158.68 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -136.62 151.25 72.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.177 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.841 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 89.98 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.2 p -88.49 27.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.576 HD11 ' HG2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -146.0 132.93 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' PRO . 20.1 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -103.89 128.46 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.73 -47.36 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.838 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.02 107.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.41 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.68 52.18 3.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -151.68 159.74 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.17 36.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -86.24 118.98 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -131.55 -72.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.35 96.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.363 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.4 mt -42.88 133.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -76.79 154.36 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 49.4 p90 -102.77 113.24 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -110.7 103.56 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -59.32 169.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -69.99 156.57 91.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 138.26 37.39 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -76.3 -11.03 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 146.42 53.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -38.26 7.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.8 mmt180 -83.1 -50.74 8.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -37.89 -55.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -34.53 77.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -66.78 -59.8 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.706 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.5 m95 -44.1 -45.0 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' HD3' ' A' ' 53' ' ' PRO . 59.6 t -73.53 -34.43 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -72.74 -23.26 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.656 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.1 mt -85.69 -51.17 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.838 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.7 p -57.03 -33.3 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 49.32 69.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 7.3 mmm-85 -90.79 -57.16 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 167.01 74.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 38.42 39.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -94.42 175.93 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.587 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -148.86 147.15 23.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 111.133 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.514 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.81 167.06 25.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.71 37.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.69 -93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -134.92 1.31 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -40.32 123.69 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -140.36 166.2 25.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.1 mt -138.01 141.21 40.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.609 ' HB3' HD13 ' A' ' 27' ' ' ILE . 20.5 m -60.37 163.56 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.4 p -91.46 -5.49 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -76.0 -27.97 57.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.598 ' O ' HD13 ' A' ' 86' ' ' ILE . 75.5 m-70 -64.78 -45.29 86.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 45.8 m-85 -77.06 142.76 39.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.76 -97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.54 -36.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -9.61 33.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.439 ' O ' HD22 ' A' ' 78' ' ' LEU . 38.4 m -88.97 -8.82 53.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CE1' HD23 ' A' ' 78' ' ' LEU . 79.0 m-85 -110.98 172.06 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -104.69 95.93 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.78 0.324 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.8 mtt180 -121.35 131.67 54.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -71.84 120.77 17.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.715 ' N ' HD13 ' A' ' 78' ' ' LEU . 4.1 mtpp -74.12 135.55 42.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ptm -56.83 -22.34 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.78 15.49 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -106.96 133.18 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.706 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -119.11 151.64 50.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 111.173 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.656 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 77.65 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -80.84 44.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 63' ' ' HIS . 2.5 mp -139.42 -84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.0 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.08 126.41 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.2 -24.79 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.683 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -59.41 103.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.59 -29.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.02 75.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.5 t -156.14 161.49 40.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.61 21.63 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.6 m -96.62 109.94 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -119.44 -53.36 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -154.7 -68.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD ' ' A' ' 62' ' ' LYS . 9.0 mt -49.23 144.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -176.36 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 58' ' ' PHE . 18.6 m-85 -130.56 107.58 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' ND1' ' HB2' ' A' ' 78' ' ' LEU . 98.2 m-70 -113.82 101.23 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -179.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 5.8 m-85 -75.21 153.79 86.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 135.89 31.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -69.5 -17.9 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.0 144.46 72.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.48 10.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -57.62 -45.86 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.89 -48.32 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.75 -56.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.98 -39.57 95.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -58.72 -61.51 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.747 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.2 m95 -40.96 -44.9 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.34 -28.29 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -78.51 -26.91 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.0 mt -81.56 -46.72 14.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 14' ' ' ALA . 3.7 p -57.27 -23.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.05 69.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -128.17 162.83 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 49' ' ' LYS . 5.6 mmpt? -59.05 -152.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -77.6 50.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -94.52 142.24 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.4 145.63 55.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.84 -166.65 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.229 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.33 19.35 9.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -148.18 -156.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -14.22 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.52 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -43.88 114.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -139.51 160.39 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 11.0 mt -124.55 139.94 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.0 m -63.71 169.36 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HG ' ' HZ ' ' A' ' 69' ' ' PHE . 1.8 t -90.14 -33.02 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.662 ' CD ' HD11 ' A' ' 27' ' ' ILE . 9.7 mtpm? -42.78 -42.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.537 ' O ' HD13 ' A' ' 86' ' ' ILE . 60.9 m-70 -55.62 -56.55 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -68.55 160.62 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.74 -97.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.762 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -146.69 -40.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -12.09 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -92.99 1.04 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.686 ' CE1' HD23 ' A' ' 78' ' ' LEU . 86.6 m-85 -119.3 -174.78 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.7 t70 -103.74 78.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.769 0.318 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 2.9 ttp180 -64.98 100.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.8 mtp180 -112.97 127.63 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -65.22 120.12 12.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.8 mtpt -71.43 137.32 48.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.7 mtm -60.63 -12.89 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.93 25.14 12.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -111.52 129.53 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -117.41 151.84 48.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.78 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.9 p -87.44 31.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 63' ' ' HIS . 3.0 mt -128.6 -79.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.87 131.7 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -59.31 -43.32 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -34.45 137.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.52 105.16 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.11 -5.42 23.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.8 t -86.2 147.14 26.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.534 HG21 ' SG ' ' A' ' 60' ' ' CYS . 53.1 m -115.35 109.25 17.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -144.59 -65.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -117.91 -65.65 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.477 ' ND2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.9 mt -39.74 152.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -102.11 137.13 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.4 m-30 -85.09 108.13 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 94.5 m-70 -110.27 106.7 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -61.06 171.22 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.8 m-85 -64.33 156.2 77.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 141.63 45.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -75.6 -18.07 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -77.56 149.58 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.8 Cg_endo -69.79 -46.78 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -49.28 -50.43 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.3 mmt180 -79.1 -51.84 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.22 -49.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 9.0 mtpt -68.4 -37.77 80.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -63.42 -61.4 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.732 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.6 m95 -40.91 -47.95 3.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 51' ' ' PHE . 36.2 t -68.51 -33.31 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -77.08 -21.94 53.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.3 mt -87.45 -47.46 8.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.803 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.9 p -57.87 -26.3 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.13 73.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.78 83.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.5 mttt 40.99 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.08 22.42 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -55.34 163.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.622 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -145.31 145.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.21 57.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 35.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -156.52 -92.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -5.66 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -38.83 116.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -137.07 164.0 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -136.81 139.32 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' HB3' HD13 ' A' ' 27' ' ' ILE . 16.6 m -62.37 -174.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -20.06 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HG3' HD11 ' A' ' 27' ' ' ILE . 6.2 mttm -60.34 -21.99 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -77.56 -36.0 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.2 m-85 -98.78 136.26 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -62.72 -97.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.46 -40.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -8.44 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.45 -7.43 56.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 78' ' ' LEU . 95.2 m-85 -110.94 -175.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' ARG . 1.1 t0 -117.56 93.38 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.735 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.734 0.302 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.38 110.93 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' ASP . 44.2 mtt180 -121.61 128.08 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.623 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.22 113.06 2.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.597 ' N ' HD13 ' A' ' 78' ' ' LEU . 2.5 mtpm? -55.23 121.03 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.22 -18.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 35.99 2.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.2 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -124.88 151.95 69.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.654 0.74 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.697 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 89.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -79.56 3.0 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.8 122.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 1.3 p30 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 15.0 t -34.73 141.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -78.12 -41.45 35.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.913 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -39.5 142.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.89 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.46 96.96 2.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 42.1 t -139.19 -61.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 74.65 78.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.422 HG21 ' SG ' ' A' ' 60' ' ' CYS . 7.4 m -155.37 121.88 5.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -108.96 -66.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ASN . 2.0 t80 -141.26 -41.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' TYR . 1.6 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.344 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.9 mt -38.17 143.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.79 165.43 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 6.3 m-85 -122.65 105.84 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 68.5 m-70 -112.23 104.82 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 160.77 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 15.6 m-85 -51.13 159.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.3 Cg_endo -69.79 173.16 11.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -112.47 1.51 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 151.37 41.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.69 37.72 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -79.02 -48.13 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -74.84 -42.16 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 ttm-85 -45.8 -52.26 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.35 -33.12 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.17 -59.11 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.703 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.7 m95 -52.84 -43.72 66.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 39' ' ' ARG . 57.9 t -69.48 -28.91 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.78 -28.53 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.3 mt -81.88 -28.52 32.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' HA ' ' A' ' 14' ' ' ALA . 8.4 p -85.21 -24.33 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 46.12 68.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.837 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -108.81 32.32 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' PHE . 10.4 tppt? 73.86 64.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t30 38.46 30.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.74 174.61 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -130.05 145.08 55.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.141 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 54.1 Cg_endo -69.79 144.68 54.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -122.0 -81.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.13 -71.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -58.17 -37.19 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.43 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -41.0 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.31 170.44 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 17.3 mt -130.86 144.4 51.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' HG21 ' A' ' 19' ' ' THR . 28.6 m -66.35 165.76 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -47.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -39.11 -31.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.741 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.8 m-70 -56.8 -55.72 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 78' ' ' LEU . 15.2 m-85 -66.96 153.65 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.705 ' CG ' HD11 ' A' ' 86' ' ' ILE . 39.1 mt-10 -79.83 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.547 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -151.37 -39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -8.06 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 67.2 m -84.65 -4.35 58.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -105.59 176.6 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -96.82 69.5 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.784 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 77' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.4 90.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' HG3' HG23 ' A' ' 75' ' ' THR . 49.3 mtt180 -112.42 130.95 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.62 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -66.76 115.0 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -68.85 147.41 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -40.08 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 14.7 m-20 -85.75 28.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.62 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -109.11 125.63 52.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.9 150.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.832 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.78 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.1 p -85.09 47.57 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 63' ' ' HIS . 83.4 mt -148.99 -91.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.5 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 59' ' ' LEU . 44.4 t -70.07 114.65 8.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -54.6 -18.53 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.549 ' N ' HD21 ' A' ' 59' ' ' LEU . . . -39.89 161.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 46' ' ' VAL . . . -102.99 33.09 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.46 50.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 37.7 t -125.39 -82.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 83.38 100.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -124.71 6.29 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -47.31 123.23 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER 34.47 82.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.329 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.474 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.7 mt -44.23 137.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 179.56 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 5.5 m-85 -127.66 103.62 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 94.9 m-70 -103.42 101.74 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.4 169.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.0 157.17 87.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.38 2.35 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.62 141.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.495 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 53.3 Cg_endo -69.76 -16.58 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -75.46 -41.71 54.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.493 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 26.7 mmt180 -93.53 -41.08 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.4 ttt180 -38.3 -36.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -79.41 -45.44 19.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -56.44 -53.62 55.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.79 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.1 m95 -50.47 -58.44 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.833 HG12 ' NE ' ' A' ' 48' ' ' ARG . 23.6 t -60.76 -20.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.49 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -86.77 -20.11 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.871 HD13 ' HG2' ' A' ' 84' ' ' PRO . 3.9 mt -87.31 -41.75 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -50.12 -33.8 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 75.46 28.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.833 ' NE ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.22 -152.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 6.0 mtpt -131.61 81.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 51.42 46.63 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -96.48 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.2 t -155.53 145.54 15.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.723 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.638 ' HA ' HG21 ' A' ' 57' ' ' THR . 53.7 Cg_endo -69.79 138.75 38.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.17 -74.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 -45.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.317 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -110.7 56.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.638 HG21 ' HA ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.04 118.47 34.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -148.6 173.62 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 6.0 mt -139.7 130.78 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 10.3 m -39.97 160.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.3 p -90.94 -38.71 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -34.36 -52.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.2 m-70 -49.06 -60.76 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 78' ' ' LEU . 73.6 m-85 -58.17 146.78 32.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.88 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -94.69 -170.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.58 56.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.44 -0.27 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 m -109.05 -9.96 15.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 65' ' ' GLU . 55.5 m-85 -106.61 174.14 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.767 0.318 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 104.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -126.5 125.64 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -67.1 113.61 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.614 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.2 mtpp -59.86 131.98 52.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -21.6 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.07 34.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -123.52 141.48 51.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -120.26 151.04 52.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.871 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.75 92.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.9 p -74.51 4.97 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.88 HD11 ' HG3' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -134.31 149.68 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 20' ' ' THR . 4.5 t-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.3 t -86.9 137.2 32.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.14 -2.27 50.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.622 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -55.76 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.09 101.67 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 79.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -138.1 -75.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.51 90.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -108.59 6.94 26.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -34.91 -78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.639 ' H ' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -66.23 88.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.804 HD11 ' CD ' ' A' ' 62' ' ' LYS . 20.4 mt -48.8 147.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.47 171.97 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CD2' ' O ' ' A' ' 29' ' ' PHE . 43.5 p90 -117.46 104.48 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 92.7 m-70 -113.45 103.19 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 173.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.44 156.76 91.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.77 138.56 38.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.45 -14.69 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -80.4 147.11 63.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.61 8.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -57.87 -47.75 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 29.0 mmt180 -83.35 -47.67 11.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -40.18 -50.82 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.28 -32.77 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -68.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.778 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -39.21 -33.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' HA ' HG12 ' A' ' 46' ' ' VAL . 42.8 t -86.13 -35.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -71.86 -22.91 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.5 mt -84.67 -48.34 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 14' ' ' ALA . 6.6 p -59.9 -11.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER 82.65 -47.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.96 93.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' ARG . 2.5 mtpt -76.27 -46.36 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -77.3 49.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.2 OUTLIER -150.24 153.5 36.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.603 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -150.46 144.68 17.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.151 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -171.04 -150.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.815 HG21 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -48.9 124.22 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -146.42 166.51 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 mt -132.63 139.6 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.1 m -63.21 163.69 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.89 -12.85 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.804 ' CD ' HD11 ' A' ' 27' ' ' ILE . 2.0 mtpt -62.3 -45.87 91.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.702 ' O ' HD13 ' A' ' 86' ' ' ILE . 57.7 m-70 -56.55 -47.03 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 60.3 m-85 -62.96 170.45 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.921 ' HG3' HD11 ' A' ' 86' ' ' ILE . 34.3 mt-10 -95.61 -14.84 23.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.98 -7.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.74 0.0 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -107.18 3.15 25.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.615 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 4.1 m-85 -80.54 -178.83 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.1 t0 -103.82 93.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.74 0.305 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 100.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' ASP . 49.6 mtp85 -119.1 128.25 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.615 HD23 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -63.85 111.33 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mttp -58.41 137.12 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -7.13 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.6 18.14 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.79 141.81 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.778 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -129.65 151.82 78.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.658 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.3 Cg_endo -69.75 88.62 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 p -78.12 6.97 6.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.921 HD11 ' HG3' ' A' ' 65' ' ' GLU . 1.6 mp -124.55 161.08 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 m-85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m120 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -78.54 131.77 36.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -74.11 -27.74 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.789 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -69.5 103.49 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.4 164.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.53 -46.57 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.97 -80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.83 65.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.25 133.76 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -124.96 -171.74 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -59.37 -56.61 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.818 0.342 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.599 HD11 ' CD ' ' A' ' 62' ' ' LYS . 1.5 mt -74.78 131.93 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -72.89 136.24 45.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 24.4 p90 -94.43 114.82 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -114.37 96.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 164.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 8.7 m-85 -56.46 158.96 7.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.83 151.85 68.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -86.85 -14.13 42.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 149.35 54.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -38.63 7.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -55.94 -43.57 77.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.9 mmt180 -85.99 -49.44 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.9 ttm180 -37.17 -53.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.44 -32.7 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -65.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.736 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.0 m95 -42.72 -46.2 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.0 t -70.25 -31.62 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -32.28 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 84' ' ' PRO . 9.8 mt -75.9 -38.46 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.789 HG23 ' HA ' ' A' ' 14' ' ' ALA . 14.2 p -77.48 -30.93 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 50.0 64.37 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.666 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -110.49 35.7 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER 82.04 -164.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -78.38 46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.52 158.15 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -138.57 144.37 42.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.54 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.9 Cg_endo -69.77 73.85 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.32 -12.41 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -121.34 -170.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -59.56 82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 13' ' ' ALA . 3.5 m -136.48 123.29 21.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -142.37 161.76 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 13' ' ' ALA . 10.4 mt -119.75 138.02 53.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.4 m -63.09 143.17 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -27.83 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 27' ' ' ILE . 3.0 mtpm? -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -59.4 -37.64 78.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 24.5 m-85 -88.6 146.51 25.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.37 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.45 -38.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 m -61.22 -13.7 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' HD22 ' A' ' 78' ' ' LEU . 55.8 m -87.38 -0.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.618 ' CE1' HD23 ' A' ' 78' ' ' LEU . 92.1 m-85 -121.52 175.71 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -108.16 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.765 0.317 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 71' ' ' LEU . 3.3 ttp180 -57.21 101.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -112.43 128.2 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.618 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -66.2 113.07 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmt -53.43 130.6 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -18.6 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.38 32.91 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . . . -115.29 134.03 55.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.736 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.21 151.33 44.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.742 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 90.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 86' ' ' ILE . 41.1 p -58.26 -11.27 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.538 HG22 ' H ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -133.89 -152.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.538 ' H ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' SG ' HD23 ' A' ' 59' ' ' LEU . 42.5 t -61.5 132.15 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NH1' ' A' ' 48' ' ' ARG . . . -76.83 -19.85 57.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.831 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -56.46 124.21 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.52 120.55 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.18 23.23 25.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 t -123.27 -66.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.87 105.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.24 127.23 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.49 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -138.1 -41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 t30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 60' ' ' CYS . 0.6 OUTLIER -58.1 138.78 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -68.82 164.15 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 15.8 p90 -121.52 106.36 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 89.6 m-70 -114.79 96.42 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.64 177.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.78 155.92 91.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.28 -25.32 54.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 147.06 88.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -42.94 3.02 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.405 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -46.8 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.9 mmt180 -83.15 -52.34 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.3 ttt180 -37.54 -52.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.92 92.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.518 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.98 -57.57 12.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.724 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.6 m95 -46.01 -38.28 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 39' ' ' ARG . 11.7 t -80.63 -26.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.4 35.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.2 mt -88.19 -38.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.831 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.8 p -67.06 -15.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 74.52 47.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' O ' ' A' ' 13' ' ' ALA . 19.2 mtt180 -149.02 56.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.35 -27.7 62.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -68.17 -15.83 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.746 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -104.07 166.64 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.571 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -158.94 145.24 12.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.55 -35.17 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.61 -94.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -132.3 -0.52 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.746 HG21 ' CE1' ' A' ' 51' ' ' PHE . 3.7 m -36.89 125.45 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -141.42 175.48 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 11.2 mt -136.76 142.28 43.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.594 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.1 m -59.91 166.48 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.0 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -42.22 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -50.46 -57.33 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 65.1 m-85 -71.35 141.56 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.56 -97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.94 -37.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 m -60.46 -16.18 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -87.94 -6.96 57.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 78' ' ' LEU . 83.9 m-85 -117.26 175.6 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -104.61 101.34 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' ARG . 11.7 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 71' ' ' LEU . 3.2 ttp180 -150.59 96.72 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -108.99 128.39 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.587 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -66.69 111.79 3.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.579 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mtpp -67.48 137.35 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.4 mmm -59.02 -22.72 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -96.15 18.99 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.95 132.15 53.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.724 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.48 151.39 56.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.75 80.67 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -88.89 29.48 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.04 -68.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -109.56 -62.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 t -103.41 14.38 31.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.06 -140.57 22.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.531 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.56 139.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 43.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.88 113.01 4.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ptp -137.03 150.0 68.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 77.71 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.657 2.238 . . . . 0.0 112.324 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.16 101.66 12.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 12' ' ' CYS . 8.9 t-20 -55.77 165.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.594 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 20.1 t -104.38 135.37 45.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.755 ' HB1' ' NH2' ' A' ' 48' ' ' ARG . . . -69.18 -37.21 78.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.839 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -40.98 157.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.43 145.06 27.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.98 29.11 73.31 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -103.71 158.53 16.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.94 51.61 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 20' ' ' THR . 55.9 m -115.8 139.21 50.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -168.22 -56.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 2.0 t80 176.9 87.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -88.72 -87.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -62.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -86.34 -6.62 58.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.7 mm -58.66 110.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -101.87 18.77 19.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.412 HD11 ' CD ' ' A' ' 62' ' ' LYS . 6.7 mt -62.51 144.58 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.94 139.2 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 40.7 p90 -88.68 108.81 19.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 77.4 m-70 -115.05 105.18 12.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -174.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 9.1 m-85 -78.61 154.29 78.66 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.543 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.83 135.82 31.24 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -70.28 -11.25 60.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -83.37 144.57 46.69 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 110.836 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.3 Cg_endo -69.76 -36.14 11.36 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? -59.18 -45.18 91.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.19 -49.16 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 3.2 ttm180 -37.16 -56.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -62.9 -39.32 94.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -58.51 -57.92 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 83' ' ' VAL . 11.3 m0 -47.24 -46.81 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HA ' HG12 ' A' ' 46' ' ' VAL . 77.1 t -71.87 -34.52 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 ' HG2' ' A' ' 84' ' ' PRO . 8.0 mt -93.76 -44.7 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.4 p -54.19 -16.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.06 74.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.755 ' NH2' ' HB1' ' A' ' 13' ' ' ALA . 12.1 mtm180 -151.0 73.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 48.76 -170.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -85.33 25.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -52.94 162.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -134.81 145.38 54.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' A' ' 57' ' ' THR . 54.0 Cg_endo -69.71 110.04 2.45 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.57 -31.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.97 144.77 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 62.2 16.5 8.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.518 ' HB ' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -92.96 101.8 14.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.615 ' O ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -144.36 160.96 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 58' ' ' PHE . 27.7 mt -129.43 144.42 51.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.8 m -71.76 154.5 41.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -75.17 4.64 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' CD ' HD11 ' A' ' 27' ' ' ILE . 41.5 mtpt -86.22 -26.73 24.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' ILE . 42.5 m-70 -83.07 -11.67 57.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.476 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 57.2 m-85 -101.8 147.23 26.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 60.9 mt-10 -66.08 -5.21 9.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.69 -48.61 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -15.82 4.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.0 2.53 30.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 7.1 m-85 -85.87 -176.54 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.6 t70 -103.24 59.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.687 HD23 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -94.47 -33.09 13.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -38.21 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -126.07 51.42 0.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.454 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.641 ' O ' HG22 ' A' ' 75' ' ' THR . 0.1 OUTLIER 81.47 168.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.952 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 74' ' ' GLN . 12.0 t 46.46 -154.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.481 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 ttp180 -168.79 83.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.4 mtt180 -106.19 126.63 52.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -53.03 113.83 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.581 ' N ' HD13 ' A' ' 78' ' ' LEU . 26.4 mtpp -60.97 135.73 57.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.7 mtm -64.87 -6.59 8.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.75 20.18 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -101.14 170.96 7.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -160.31 151.63 16.11 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.618 0.723 . . . . 0.0 111.124 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.652 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.5 Cg_endo -69.79 92.2 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.3 p -68.37 -10.75 57.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -131.65 -170.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.475 ' CE2' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 167.36 -24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 48.47 50.31 16.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -83.78 6.95 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' PHE . 2.0 m 34.78 81.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -35.46 -72.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -131.0 -68.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.38 -43.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.5 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.76 162.41 11.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -164.41 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.359 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.2 t -80.0 -50.78 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 p 45.02 -94.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -158.57 110.84 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 62.1 20.87 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.67 -177.14 38.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -117.93 -23.71 7.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 p 55.79 32.11 18.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 -127.42 2.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.31 158.65 75.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 155.12 66.78 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.813 HG21 ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -138.25 162.8 33.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -94.22 -177.42 4.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -79.06 134.48 36.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -59.63 -34.33 72.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.735 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -47.15 140.37 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.58 -10.6 59.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.47 63.87 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -155.1 -68.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.72 36.06 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 137.66 47.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.5 -75.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.31 148.12 33.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -145.59 25.22 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.57 -82.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ILE . 42.2 m170 -59.55 -67.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -36.8 134.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.48 34.58 4.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 60' ' ' CYS . 8.1 mt -40.63 143.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.29 144.07 25.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 22.1 p90 -96.85 111.7 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 94.5 m-70 -116.18 98.07 6.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -53.88 176.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.561 ' CD2' ' HG3' ' A' ' 53' ' ' PRO . 4.5 m-85 -69.89 156.49 91.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.8 Cg_endo -69.82 140.06 41.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -72.92 -14.39 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.22 147.9 54.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.839 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.88 2.95 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -46.96 65.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 55.4 mmt-85 -83.49 -49.66 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.58 -54.69 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -61.32 -34.88 75.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' VAL . 8.7 mm-40 -68.41 -63.58 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.721 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.4 m95 -38.8 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 51' ' ' PHE . 60.9 t -89.49 -39.36 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -68.2 -37.2 80.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.9 mt -66.76 -56.31 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.735 HG23 ' HA ' ' A' ' 14' ' ' ALA . 4.5 p -55.73 -16.47 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 42.52 78.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.7 mmm180 -112.57 -11.36 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER 61.13 128.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' LYS . 36.2 t30 36.93 56.21 1.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -138.06 151.51 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -163.47 144.47 7.22 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.83 175.78 7.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.17 35.26 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 56' ' ' HIS . 1.1 ttpt -169.24 -88.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.813 ' CD2' HG21 ' A' ' 10' ' ' THR . 0.2 OUTLIER -123.55 -5.79 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -37.59 122.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -148.15 166.23 28.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -132.31 140.2 48.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB3' HD13 ' A' ' 27' ' ' ILE . 10.4 m -64.81 155.62 33.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -87.32 -15.42 38.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 1.3 ptmm? -57.07 -39.09 74.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' HD13 ' A' ' 86' ' ' ILE . 50.2 m-70 -67.91 -43.75 78.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HA ' HD13 ' A' ' 86' ' ' ILE . 32.8 m-85 -60.71 165.68 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 2.9 mm-40 -87.77 -13.45 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 77.48 -9.46 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.4 0.96 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.495 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.13 -0.49 33.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.738 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -81.8 179.19 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -119.3 102.21 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.35 -94.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.1 t 39.68 32.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.33 -54.39 0.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.26 -168.47 2.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.902 0.382 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 t -65.52 -165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.479 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -109.14 104.51 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' ASP . 20.4 mtt180 -118.33 125.45 50.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.738 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.8 OUTLIER -68.69 120.68 15.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.733 ' N ' HD13 ' A' ' 78' ' ' LEU . 22.3 mtpp -71.22 127.22 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -15.06 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.71 9.41 30.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' CB ' ' A' ' 68' ' ' CYS . . . -101.61 156.17 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.721 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -141.57 151.04 59.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.131 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.842 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.81 77.01 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 44.5 p -88.13 42.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.56 HD11 ' HG2' ' A' ' 65' ' ' GLU . 2.9 mp -139.69 -73.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 45.93 70.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.18 124.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -62.92 150.93 40.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.25 175.29 8.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.9 m 53.08 100.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 59.1 90.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.1 tt -60.57 140.72 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m -135.08 4.77 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.12 -169.0 53.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 153.15 69.04 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 14.5 m -95.22 45.44 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.97 137.15 32.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 p -119.5 25.26 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.789 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.33 128.12 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.79 -125.36 4.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.69 -52.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t 52.69 -91.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.14 -145.48 16.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.5 ptm -119.52 143.95 35.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.547 0.689 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 108.53 2.1 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.647 2.231 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -78.54 -170.33 2.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -149.53 145.4 26.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.6 136.92 49.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ALA . . . -82.4 -29.95 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.713 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.59 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' ALA . . . -42.64 105.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.26 -45.94 1.12 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 6.0 t -77.83 156.92 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.76 115.95 10.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.85 135.04 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -128.07 171.18 12.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 20' ' ' THR . 31.9 t80 -35.82 -53.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CB ' HG13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER 48.9 -169.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -115.49 -67.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -93.55 62.59 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.5 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -102.9 -45.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER 82.44 -39.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.799 HD11 ' HD2' ' A' ' 62' ' ' LYS . 8.7 mt -53.99 134.51 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.33 131.19 44.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 42.8 p90 -80.3 103.99 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 97.5 m-70 -106.17 99.18 8.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.76 171.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 57' ' ' THR . 10.7 m-85 -64.43 154.25 84.35 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.658 0.742 . . . . 0.0 110.854 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.73 145.16 56.49 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -77.79 -17.94 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.09 145.41 60.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.584 0.707 . . . . 0.0 110.901 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -33.05 17.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -42.03 96.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 30.1 mmt180 -88.89 -47.85 7.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -37.4 -49.07 0.98 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -70.3 -38.63 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.633 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.46 -57.88 10.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.758 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -47.02 -45.34 21.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.545 HG13 ' CE2' ' A' ' 51' ' ' PHE . 21.7 t -74.85 -25.13 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -82.76 -20.75 35.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.4 mt -90.81 -24.91 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 14' ' ' ALA . 7.8 p -88.26 -10.76 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 39.07 74.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 51' ' ' PHE . 2.3 mtp85 -117.85 30.51 7.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.08 -155.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.18 52.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.545 ' CE2' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.5 150.06 22.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -128.29 144.37 51.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.65 0.738 . . . . 0.0 111.138 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.3 Cg_endo -69.78 89.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.324 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 -85.03 1.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 5.7 ttpt -139.24 146.47 40.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.536 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER 74.6 -1.09 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.79 113.15 18.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -142.42 166.52 24.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 10.1 mt -132.39 139.63 48.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 16.0 m -66.91 138.05 57.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.4 p -66.38 -30.98 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.799 ' HD2' HD11 ' A' ' 27' ' ' ILE . 2.6 mtpt -44.02 -45.8 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 42.2 m-70 -60.27 -39.95 88.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 26.5 m-85 -66.04 167.12 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -83.96 -14.77 50.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.51 -11.5 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -80.84 -0.05 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.413 ' CB ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.93 -2.37 29.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.797 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -79.91 179.38 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -125.8 84.18 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD22 ' HG3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -103.5 -93.97 0.33 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.2 t 37.71 36.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 136.37 -74.27 0.42 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CG ' ' N ' ' A' ' 75' ' ' THR . 0.1 OUTLIER -68.92 -172.96 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.848 0.356 . . . . 0.0 110.908 -179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.477 ' N ' ' CG ' ' A' ' 74' ' ' GLN . 2.8 t -62.68 170.97 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.767 ' HG3' HD22 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -87.08 98.0 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' ASP . 52.4 mtt-85 -106.35 126.95 52.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.797 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -72.95 123.51 23.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.789 ' N ' HD13 ' A' ' 78' ' ' LEU . 33.3 mttm -67.08 123.52 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.8 mtm -53.26 -16.9 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -96.04 22.35 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -110.82 141.51 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -126.26 151.88 72.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 111.153 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.611 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.7 85.71 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.666 2.244 . . . . 0.0 112.337 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.0 p -79.76 10.07 4.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -141.26 126.25 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -142.07 13.62 2.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.32 172.97 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -148.7 156.33 42.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 55.48 -168.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.9 t -156.05 147.35 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.173 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.58 -78.34 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.5 pt -150.79 -38.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -41.97 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.62 177.36 48.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 98' ' ' SER . 54.5 Cg_endo -69.74 147.44 63.01 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.275 . . . . 0.0 112.392 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.43 80.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' PRO . 0.4 OUTLIER -104.39 178.73 4.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -27.53 32.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.8 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -58.32 8.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.88 99.89 0.21 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.84 157.39 36.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.39 . . . . 0.0 110.873 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -163.72 85.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.19 -40.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.539 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -91.1 148.94 39.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.41 2.35 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.9 168.24 9.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' CG ' ' N ' ' A' ' 12' ' ' CYS . 0.2 OUTLIER -104.53 -179.67 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 11' ' ' ASN . 19.4 t -100.52 134.4 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.69 -18.79 60.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -53.96 176.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.04 -89.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.97 87.03 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.4 t -142.3 154.27 44.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.46 48.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 HG21 ' SG ' ' A' ' 60' ' ' CYS . 3.5 m -115.38 114.62 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.1 m -163.14 -51.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -139.68 97.18 3.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -125.03 44.45 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt 47.84 79.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 57.75 61.89 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.7 tt -59.35 139.38 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -73.35 -34.93 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' N ' ' ND2' ' A' ' 26' ' ' ASN . 26.7 mt -44.61 149.42 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.0 p -98.38 176.47 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 23.8 p90 -125.31 106.67 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 95.6 m-70 -105.69 96.82 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -53.78 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.91 154.74 86.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.624 0.726 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 140.49 42.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -76.54 -9.86 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 147.89 47.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -38.53 7.72 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -57.95 -47.63 82.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' GLU . 23.6 mmt180 -82.17 -47.51 12.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 ttt180 -39.8 -52.44 2.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -64.69 -30.3 71.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.9 mm-40 -69.71 -62.47 1.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.742 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.3 m95 -43.28 -31.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 51' ' ' PHE . 42.5 t -88.76 -34.12 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -73.79 -21.23 60.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.4 mt -85.05 -54.49 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -54.04 -15.97 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 35.3 77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 7.5 mmm180 -123.64 30.16 6.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 78.56 -153.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 50' ' ' ASN . 3.1 t-20 -76.35 54.36 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.62 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -98.78 139.14 34.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.04 146.22 60.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.1 Cg_endo -69.78 129.67 17.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.92 -76.82 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -65.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -81.79 60.77 4.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.97 106.32 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -139.1 161.9 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 9.1 mt -132.99 141.0 48.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' SG ' HG21 ' A' ' 19' ' ' THR . 15.0 m -64.12 144.01 57.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.09 -26.35 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -48.97 -38.06 22.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 53.1 m-70 -68.17 -37.79 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.8 m-85 -68.88 160.8 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.608 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -83.71 -14.78 50.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.6 -11.69 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.9 t -80.93 0.11 36.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.429 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.04 0.72 38.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.802 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.3 m-85 -82.3 179.9 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.5 OUTLIER -103.66 99.84 9.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD21 ' HE ' ' A' ' 76' ' ' ARG . 0.8 OUTLIER -113.31 -32.48 6.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 t -73.36 -7.35 51.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.35 -64.76 0.42 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -147.63 -158.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.8 146.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.614 ' HE ' HD21 ' A' ' 71' ' ' LEU . 2.8 ttt180 -56.87 102.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.1 mtt180 -126.45 128.96 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.802 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -62.0 111.84 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.9 mtpp -56.7 135.15 55.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.2 mtm -64.82 -6.63 8.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.76 20.26 18.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.434 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -106.83 151.37 25.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.742 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -135.74 151.25 73.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.598 0.714 . . . . 0.0 111.114 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.811 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.4 Cg_endo -69.84 90.97 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 63.8 p -73.44 2.85 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -127.43 150.35 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.154 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 46' ' ' VAL . 1.2 m-85 -173.41 -55.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -135.01 -81.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 73.98 20.1 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 -49.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.5 p -72.06 -75.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.53 154.62 20.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 pt -138.58 127.67 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.93 -166.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.517 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . 79.61 48.46 6.69 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.548 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.6 Cg_endo -69.78 67.75 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 77.87 99.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -135.29 175.27 9.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.495 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -160.93 -47.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -93.42 -62.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.26 139.98 3.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -114.25 -0.51 13.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.818 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -84.8 145.74 27.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.12 164.56 24.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mtt 56.89 159.46 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.574 0.702 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 87.7 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.425 ' C ' ' ND2' ' A' ' 11' ' ' ASN . 0.3 OUTLIER -83.51 145.63 28.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 10' ' ' THR . 9.3 m-80 -157.28 -175.24 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -86.86 116.98 25.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.94 -41.36 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.659 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -41.19 129.23 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.11 -131.17 3.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 5.4 t 56.16 162.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -139.64 73.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.509 HG21 ' SG ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -120.65 133.44 55.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.2 -90.82 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -124.98 -61.42 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 65.09 172.61 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.02 2.06 10.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -127.94 -35.62 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 138.5 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.73 1.88 12.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -45.17 139.2 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.5 m -82.72 168.07 17.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 9.6 m-85 -118.25 107.07 13.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 75.7 m-70 -110.7 104.22 12.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.58 177.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.12 155.13 93.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.8 143.82 51.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -78.88 -15.47 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.92 145.56 57.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.95 22.98 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.23 -44.19 92.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.1 mmt180 -86.57 -46.87 9.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -39.56 -53.77 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -65.8 -27.05 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -72.18 -63.83 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.774 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -39.83 -45.26 1.75 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 51' ' ' PHE . 59.6 t -70.16 -33.97 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -78.87 -19.99 50.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 84' ' ' PRO . 13.0 mt -85.27 -48.88 8.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.0 OUTLIER -53.67 -21.86 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.148 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 65.74 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtp85 -147.97 -39.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.5 tttm 67.14 -72.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.28 58.18 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.535 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -153.93 162.58 41.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.535 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -160.67 145.54 10.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.107 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.59 -76.01 1.31 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' CG ' ' CE1' ' A' ' 56' ' ' HIS . 5.4 ptmt -164.96 -41.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.601 ' CE1' ' CG ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -89.75 -1.73 58.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 72.6 m -84.6 129.57 34.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -145.34 172.18 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 7.3 mt -130.41 133.41 46.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' SG ' HG21 ' A' ' 19' ' ' THR . 12.7 m -60.26 155.36 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.1 p -90.22 -16.54 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -56.77 -39.93 74.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 60' ' ' CYS . 50.6 m-70 -66.25 -48.69 69.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 86' ' ' ILE . 19.0 m-85 -49.78 170.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 42.1 mt-10 -91.28 -14.14 31.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 76.76 -8.4 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.23 0.63 35.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.482 ' CB ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -102.62 -5.13 24.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.862 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.875 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.1 m-85 -79.76 164.75 23.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -95.89 80.9 3.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.785 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -67.07 -19.24 65.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.1 134.94 51.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.02 -61.21 0.38 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.408 ' O ' HG22 ' A' ' 75' ' ' THR . 0.7 OUTLIER -172.38 124.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 76' ' ' ARG . 9.0 t 39.56 -158.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.46 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 4.9 mtm180 -116.85 110.07 17.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -116.99 129.34 55.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.875 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -68.46 117.23 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.684 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.3 mttm -51.33 127.36 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -7.51 5.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -112.24 12.84 20.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -92.61 157.89 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -144.25 150.65 49.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 111.183 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.646 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.77 92.63 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.8 p -89.75 51.23 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -148.32 -93.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 8.0 m-85 55.17 49.35 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -38.46 101.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -169.2 83.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 -52.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.1 p -92.65 127.99 38.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 84.0 t60 -152.78 53.77 0.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 tt -134.27 95.78 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.4 p -177.89 101.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.0 177.6 41.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -38.9 7.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.36 94.16 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 136.17 33.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.472 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.01 118.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.798 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.12 147.54 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.807 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.89 -26.83 73.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -146.17 176.55 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.79 113.6 6.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.41 174.77 40.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -155.78 157.35 31.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.95 29.22 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.672 ' O ' HG22 ' A' ' 10' ' ' THR . 52.5 m -102.67 1.45 34.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' CYS . 11.3 m-20 61.31 170.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 48.6 t -35.96 121.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.79 -25.13 68.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.731 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -51.1 100.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.17 109.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.73 34.47 3.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.0 t -144.13 -76.52 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.842 0.354 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 68.22 76.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.27 131.42 47.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -116.04 -84.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -125.16 140.94 52.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' ND2' HG13 ' A' ' 25' ' ' ILE . 2.0 m120 -116.29 154.23 30.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -13.06 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -108.32 -43.74 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -80.04 -153.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.53 ' H ' HG22 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -164.8 24.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.5 mt -47.5 140.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.407 ' HB2' ' NE2' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -101.86 143.73 31.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 51.4 p90 -86.3 112.58 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 77.0 m-70 -112.42 95.4 5.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -53.61 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 57' ' ' THR . 3.6 m-85 -79.74 153.42 75.58 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.7 0.762 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.85 148.71 65.1 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -82.52 -9.71 59.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -86.04 145.21 40.28 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.888 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 53.2 Cg_endo -69.81 -31.01 21.13 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -64.88 -42.33 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.6 mmp_? -87.68 -49.19 7.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 1.5 ttt180 -38.54 -50.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -65.42 -35.23 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -65.9 -62.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.77 ' CD1' HG12 ' A' ' 83' ' ' VAL . 19.5 m95 -40.14 -36.94 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG13 ' CD2' ' A' ' 51' ' ' PHE . 42.2 t -86.43 -32.83 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -72.87 -20.51 61.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.0 mt -88.26 -52.72 5.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.731 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.8 p -50.98 -20.04 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 63.82 68.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -138.64 95.49 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.95 144.16 43.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.61 31.51 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD2' HG13 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -132.45 138.22 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.53 144.46 53.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.79 147.63 63.09 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -160.51 -97.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -123.18 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.336 . . . . 0.0 110.898 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.443 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 11.5 m-70 79.19 -54.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.45 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -36.67 116.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -144.86 170.03 16.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 18.3 mt -131.82 144.26 50.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.5 m -67.55 151.91 46.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.464 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 5.3 p -84.79 -18.33 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -56.44 -39.4 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.441 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 45.1 m-70 -64.75 -47.84 76.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -54.05 165.82 0.44 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.733 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -83.97 -14.79 49.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 78.56 -11.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -0.05 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -101.91 -4.53 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.871 ' CE1' HD23 ' A' ' 78' ' ' LEU . 3.8 m-85 -79.48 166.75 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.4 t0 -97.57 87.97 4.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.7 -20.73 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.675 HG23 ' N ' ' A' ' 73' ' ' GLY . 1.3 t -102.39 -163.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.675 ' N ' HG23 ' A' ' 72' ' ' THR . . . 70.81 -88.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.95 -69.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.92 0.39 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -134.21 168.35 19.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.7 mtm-85 -66.83 97.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 70' ' ' ASP . 6.6 mtt-85 -113.44 130.1 56.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.871 HD23 ' CE1' ' A' ' 69' ' ' PHE . 1.1 tm? -62.43 119.57 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.716 ' N ' HD13 ' A' ' 78' ' ' LEU . 13.9 mttt -55.68 119.36 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 mtm -52.77 -17.16 1.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -100.11 22.05 11.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -108.72 149.22 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -132.44 152.19 79.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.646 0.736 . . . . 0.0 111.085 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.649 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.3 Cg_endo -69.79 69.97 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.9 p -82.12 41.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.153 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.733 HD11 ' HG3' ' A' ' 65' ' ' GLU . 12.1 mt -139.94 -81.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 57.2 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -88.86 165.72 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -174.19 -66.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 77.9 m -108.17 78.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 p -127.68 -178.5 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -175.3 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.52 -47.3 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.9 p 41.13 58.02 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . -162.15 51.78 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.8 Cg_endo -69.71 147.99 64.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.2 OUTLIER 74.15 1.84 3.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.8 OUTLIER 80.84 37.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.509 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 m 44.61 -168.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.906 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 m -153.76 99.14 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.36 68.54 0.52 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -147.2 107.88 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 p -97.85 -40.49 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.97 -121.39 4.9 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -65.47 148.69 97.91 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 86.87 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.1 156.42 17.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -135.71 175.2 9.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 35.4 t -81.19 119.89 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.94 -26.76 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -55.59 124.49 17.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.068 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.53 127.9 33.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 96.85 -16.75 60.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 46.6 t -111.32 116.2 30.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.74 76.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.63 132.68 36.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.8 p -149.93 -89.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -105.59 -58.61 1.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 24' ' ' HIS . 3.4 m-20 63.04 12.44 5.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 35.03 33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -170.53 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.78 136.38 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -119.56 11.06 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.593 HD11 ' HD2' ' A' ' 62' ' ' LYS . 1.3 mt -34.39 149.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.4 t -86.42 173.08 9.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 11.7 p90 -125.14 107.79 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 96.3 m-70 -114.61 105.1 12.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.81 -174.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -80.1 155.19 74.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.733 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.78 137.69 35.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -71.78 -16.42 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.65 143.95 68.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -33.97 15.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.1 -43.47 98.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 61.7 mmt-85 -87.56 -49.62 7.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.4 ttm180 -36.72 -53.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 40' ' ' LYS . 4.8 mmmm -65.89 -39.99 91.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -53.52 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.727 ' O ' HG12 ' A' ' 46' ' ' VAL . 11.2 m95 -52.27 -43.41 64.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG11 ' O ' ' A' ' 51' ' ' PHE . 22.3 t -76.19 -28.4 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -79.17 -23.76 43.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 84' ' ' PRO . 4.9 mt -87.39 -40.8 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG12 ' O ' ' A' ' 42' ' ' TRP . 4.0 p -70.3 -17.95 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER 36.55 85.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -145.78 92.02 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt 47.37 32.67 2.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 39.9 30.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.808 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.3 OUTLIER -54.03 -173.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.602 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -139.13 145.74 46.26 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.631 0.729 . . . . 0.0 111.171 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HD3' HG21 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.71 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 94.16 44.55 3.51 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' THR . 1.2 mttt -178.32 -173.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.1 OUTLIER -40.42 -28.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.808 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -36.05 121.89 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -146.64 171.44 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.3 mt -134.63 137.71 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' HB3' HD13 ' A' ' 27' ' ' ILE . 31.9 m -55.62 163.15 1.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 -9.62 54.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HD2' HD11 ' A' ' 27' ' ' ILE . 52.3 mttt -71.01 -41.42 70.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -56.89 -31.45 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.7 m-85 -93.68 160.12 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.775 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -99.56 -165.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.19 -25.54 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -1.88 36.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.467 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 8.4 m -100.46 -6.64 25.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 78' ' ' LEU . 74.9 m-85 -108.81 178.94 4.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.2 OUTLIER -123.77 85.35 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.796 ' H ' HD12 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -103.13 -29.01 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.4 t -44.17 -25.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -101.59 -75.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.561 ' C ' HG23 ' A' ' 75' ' ' THR . 32.5 mt-30 -155.54 139.03 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.561 HG23 ' C ' ' A' ' 74' ' ' GLN . 0.3 OUTLIER 49.61 178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.447 ' N ' ' OG1' ' A' ' 75' ' ' THR . 5.9 mtm180 -103.39 117.62 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 70' ' ' ASP . 19.4 mtt180 -129.33 126.65 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 82' ' ' ALA . 0.9 OUTLIER -68.47 112.67 5.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 78' ' ' LEU . 11.9 mtpp -55.88 139.21 46.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -10.65 27.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.88 25.43 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.76 133.23 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.59 151.57 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.616 0.722 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.784 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.73 91.14 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.0 p -88.57 -11.52 45.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.775 HD11 ' HG3' ' A' ' 65' ' ' GLU . 3.4 mt -90.17 -67.9 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CD2' ' HB2' ' A' ' 84' ' ' PRO . 0.3 OUTLIER 40.2 84.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -42.72 82.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 t80 75.17 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 10.5 p -141.52 -172.8 3.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.1 p -76.52 -166.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 93' ' ' ILE . 14.9 m-70 -94.12 73.39 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 92' ' ' HIS . 1.0 OUTLIER 36.54 39.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.76 105.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.11 -170.32 39.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.54 68.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 t -160.81 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.27 -59.51 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.508 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -122.6 -37.84 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.15 43.48 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.58 -132.8 3.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -143.46 103.2 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.39 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 p -133.03 95.79 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.02 44.68 1.2 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.47 160.52 32.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 101.26 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 88.0 m -147.54 135.23 21.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -132.98 152.26 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -67.5 129.4 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.778 ' HB1' ' CE2' ' A' ' 51' ' ' PHE . . . -67.71 -31.88 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.601 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -35.98 138.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.83 108.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.35 72.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.5 t -148.77 -64.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 19' ' ' THR . . . 63.13 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER 83.39 6.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 p -43.18 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.18 134.44 53.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -142.73 17.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER 80.45 -71.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -128.84 91.04 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -146.0 146.5 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -132.79 48.46 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 28' ' ' SER . 8.1 mt -79.1 139.78 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' O ' HG22 ' A' ' 27' ' ' ILE . 15.5 m -80.36 177.22 9.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 18.7 p90 -127.3 108.38 10.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 86.3 m-70 -114.62 97.12 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 57' ' ' THR . 6.6 m-85 -67.91 156.89 88.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.73 139.81 41.25 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -73.82 -11.59 60.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.33 146.23 44.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.558 0.694 . . . . 0.0 110.891 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -40.32 5.43 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -56.4 -43.4 79.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -85.27 -50.08 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -38.69 -51.86 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -64.41 -39.71 94.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HB3' HG11 ' A' ' 83' ' ' VAL . 2.2 mm-40 -60.05 -59.43 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.876 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.4 m95 -44.76 -54.41 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG13 ' HD1' ' A' ' 51' ' ' PHE . 41.1 t -62.39 -23.68 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -90.6 -20.12 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.7 mt -88.55 -41.4 12.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 42' ' ' TRP . 1.3 p -61.61 -29.97 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.72 85.22 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -143.67 155.71 44.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -96.71 125.9 41.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 48.95 36.66 8.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.778 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -100.99 155.92 17.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -176.43 144.64 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' A' ' 32' ' ' PHE . 53.7 Cg_endo -69.78 113.93 3.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.294 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.59 -39.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 56' ' ' HIS . 3.4 tttp -169.91 125.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CG ' ' C ' ' A' ' 55' ' ' LYS . 1.8 m170 77.66 -0.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.557 ' CG2' ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -83.56 115.46 22.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.535 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -147.3 163.97 34.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 59' ' ' LEU . 11.7 mt -127.07 137.25 52.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.2 m -55.71 167.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.0 p -96.68 -17.41 20.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttp -61.73 -27.55 68.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -64.21 -60.38 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -64.78 150.79 46.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -76.39 -97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.825 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -150.12 -38.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.42 -10.49 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.813 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 1.6 m -88.03 -0.36 56.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 92.2 m-85 -114.17 -178.84 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' ARG . 6.5 t70 -103.71 75.96 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.832 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.825 HD21 ' O ' ' A' ' 66' ' ' ALA . 0.0 OUTLIER -82.1 -34.03 29.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 72' ' ' THR . 6.4 t -88.47 59.36 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.25 -52.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.534 ' O ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER 176.17 131.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 74' ' ' GLN . 9.0 t 43.19 -166.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.51 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -113.35 96.3 5.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' ASP . 57.1 mtt180 -112.45 130.06 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -62.88 110.89 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' N ' HD13 ' A' ' 78' ' ' LEU . 12.7 mtpp -49.7 130.85 21.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.0 mtp -59.17 -11.9 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.43 28.79 8.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -108.85 139.56 43.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.3 151.13 58.65 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.699 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.8 88.46 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.8 p -91.37 19.7 5.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 88' ' ' ASP . 1.8 mp -134.79 -65.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER 58.02 -82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 86' ' ' ILE . 5.5 t0 -171.53 135.2 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.01 99.96 4.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 p -121.14 163.63 18.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 143.91 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -63.02 -24.39 67.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 93' ' ' ILE . 5.4 mp -95.46 57.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.16 110.33 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 49.6 63.15 4.31 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 79.39 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 p 40.3 72.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -132.26 -64.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.512 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.83 98.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.68 153.71 27.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.02 -114.82 3.9 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.15 -6.39 7.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 t 43.69 53.13 6.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.49 -148.53 5.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.5 mtm -84.81 150.12 55.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 164.01 36.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 p -116.56 -161.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -156.43 127.26 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 34.8 t -49.03 108.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.57 ' HB3' HD21 ' A' ' 59' ' ' LEU . . . -34.42 -43.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.624 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -46.3 143.53 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.24 -56.97 3.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.58 61.97 4.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.67 153.8 30.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.57 34.79 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -92.89 114.48 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 p -137.25 -70.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -96.73 -77.45 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER 78.17 -46.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 3.7 tptp 80.47 -8.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 23' ' ' LYS . 15.4 m80 -151.64 -151.18 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 24' ' ' HIS . 0.4 OUTLIER 77.95 157.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.21 6.73 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.9 134.24 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -105.96 177.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 3.5 m-85 -119.2 105.45 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CD2' ' CB ' ' A' ' 78' ' ' LEU . 13.2 m80 -114.75 102.26 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -58.74 179.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -75.84 155.77 84.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.694 0.759 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.2 Cg_endo -69.76 151.73 69.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -83.44 -22.65 32.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -73.73 148.5 87.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.701 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.7 Cg_endo -69.75 -39.55 6.4 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -46.58 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 11.5 mmp_? -85.74 -50.75 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 ttt-85 -37.25 -52.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 10.9 mtpt -66.8 -36.02 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -64.3 -61.55 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.3 m95 -41.13 -34.68 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 13.6 t -84.91 -30.7 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' GLU . 5.5 ttm-85 -74.99 -26.41 59.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 HD13 ' HG2' ' A' ' 84' ' ' PRO . 2.4 mt -82.36 -49.6 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.6 p -50.6 -18.54 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 37.8 mtt180 77.25 40.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -105.73 -74.39 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER 77.15 -52.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -86.87 23.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.486 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.13 150.4 47.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.46 145.4 43.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 116.15 4.43 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 55' ' ' LYS . . . -116.97 53.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.0 OUTLIER 79.92 -53.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -80.3 44.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.416 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -126.2 123.77 38.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.1 150.38 34.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 13' ' ' ALA . 12.7 mt -125.0 138.82 54.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.2 m -57.23 171.18 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.3 m -97.25 -24.43 15.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 0.1 OUTLIER -55.21 -38.03 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.573 ' O ' HD13 ' A' ' 86' ' ' ILE . 88.9 m-70 -56.88 -53.52 57.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 92.3 m-85 -70.21 129.49 39.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.54 -97.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.99 -39.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.3 p -59.7 -10.69 3.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.544 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -85.82 -15.46 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -106.62 157.73 17.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.25 102.7 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.759 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -73.96 -59.53 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 t -52.29 163.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.51 -90.05 1.03 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.1 -174.42 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -39.97 160.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -56.99 125.66 23.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -128.86 128.7 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' CB ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -60.04 110.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.1 mtpm? -67.69 136.26 54.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 2.7 ptp -56.39 -24.27 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.07 20.72 11.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -103.67 131.93 50.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -122.77 151.59 60.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.692 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.9 Cg_endo -69.78 86.64 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 64.2 p -78.42 8.11 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 63' ' ' HIS . 1.1 mp -135.72 151.62 29.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -169.06 -64.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.99 145.63 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.84 112.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.83 -72.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.49 172.61 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 47.4 m170 56.52 179.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.2 pt -98.3 109.54 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -80.51 145.14 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.77 173.06 31.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 125.49 12.22 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.8 p -159.64 24.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -119.17 154.01 33.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.484 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.58 -85.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.81 -66.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.78 -16.9 55.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.34 -24.9 63.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.38 -26.03 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.827 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.66 -150.26 41.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtt -132.94 151.43 77.99 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.517 0.675 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.89 128.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.461 ' ND2' ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER -141.09 140.25 34.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 37.4 t -46.14 129.01 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.937 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -69.15 -40.17 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.79 121.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 98.15 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.92 39.35 0.97 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 t -130.81 -72.8 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.352 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 81.4 118.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -170.96 130.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.1 p -141.82 -89.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -130.3 159.8 35.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -170.97 -161.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.7 -20.13 11.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.0 -44.12 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.922 HG22 ' H ' ' A' ' 27' ' ' ILE . 21.9 mm -38.62 -75.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 56.23 25.92 9.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.922 ' H ' HG22 ' A' ' 25' ' ' ILE . 3.1 mt -63.41 142.17 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.8 p -78.98 -179.5 6.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 44.8 p90 -132.41 109.64 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -116.23 98.66 6.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.6 175.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' CE1' HG22 ' A' ' 57' ' ' THR . 7.1 m-85 -68.12 156.11 90.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.4 Cg_endo -69.79 140.46 42.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -72.64 -19.83 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -78.74 148.45 72.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 54.1 Cg_endo -69.72 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.256 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -47.63 -42.93 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 41' ' ' GLU . 2.4 mmt180 -86.73 -52.07 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -36.63 -56.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -62.56 -34.15 76.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -63.88 -59.4 4.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.685 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.8 m95 -46.42 -41.24 13.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 39' ' ' ARG . 15.1 t -75.42 -31.56 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -75.54 -26.48 58.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.704 HD13 ' HG2' ' A' ' 84' ' ' PRO . 10.3 mt -85.49 -24.38 27.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 42' ' ' TRP . 9.0 p -96.64 -27.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.142 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER 67.22 -72.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 35.56 33.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' ARG . 17.6 mmtp 65.61 -152.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -76.91 51.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -89.0 159.95 17.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.609 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -149.65 146.38 20.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 111.12 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 85.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.84 -55.49 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -87.88 -169.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.934 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 83.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.937 HG23 ' HB2' ' A' ' 13' ' ' ALA . 5.9 m -126.64 126.38 43.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -144.28 172.42 12.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD12 ' CE3' ' A' ' 42' ' ' TRP . 10.1 mt -130.29 135.62 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' HD13 ' A' ' 27' ' ' ILE . 29.3 m -58.26 163.16 3.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.91 -5.77 52.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 63' ' ' HIS . 2.0 ptmt -73.43 -30.74 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' N ' ' HG2' ' A' ' 62' ' ' LYS . 90.2 m-70 -62.6 -52.54 62.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.446 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 74.7 m-85 -70.49 -178.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.758 ' HG3' HD11 ' A' ' 86' ' ' ILE . 1.4 mm-40 -108.08 -97.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -156.37 -41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.3 m -60.52 -10.49 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.772 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 37.4 m -91.03 0.0 57.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.802 ' HB2' HD11 ' A' ' 71' ' ' LEU . 50.8 m-85 -113.28 -177.77 3.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.405 ' C ' HD13 ' A' ' 71' ' ' LEU . 2.1 t0 -100.88 77.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -85.73 -42.37 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 72' ' ' THR . 4.5 t -40.21 99.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' THR . . . 35.28 66.85 0.33 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 171.21 145.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.12 142.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HG3' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -64.37 97.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 70' ' ' ASP . 48.1 mtt-85 -116.64 128.89 55.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.5 OUTLIER -59.59 111.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' N ' HD13 ' A' ' 78' ' ' LEU . 15.5 mtpp -54.58 134.02 46.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -17.52 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -111.38 27.28 9.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.772 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.73 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.685 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.15 151.55 45.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 0.0 111.101 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.704 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.81 84.09 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.411 ' C ' HG13 ' A' ' 86' ' ' ILE . 43.4 p -85.78 38.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HG3' ' A' ' 65' ' ' GLU . 7.3 mt -150.43 -69.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 53.49 84.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.53 145.34 50.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -67.84 -9.31 43.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.4 t -150.36 152.65 34.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.2 m -132.06 120.39 22.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -162.09 98.79 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 93' ' ' ILE . 8.2 tt -135.92 14.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.6 t -161.47 165.29 28.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.4 170.66 32.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.33 27.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m -55.01 154.83 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m -83.8 76.96 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.522 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.04 -82.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -73.57 109.94 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.33 23.74 13.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -171.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -75.34 -68.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.54 179.28 22.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -119.86 156.63 53.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.544 0.688 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 152.21 69.11 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.339 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 m -158.18 151.95 23.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.76 153.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 14' ' ' ALA . 10.9 t -106.0 125.43 50.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.85 -39.02 70.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . . . -46.93 139.31 5.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.03 128.47 35.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.79 26.8 33.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.432 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -120.91 -68.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 110.853 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.95 82.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.43 135.36 47.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -141.44 -157.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -60.98 -32.78 72.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 39.41 46.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.15 -88.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 103.31 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 26' ' ' ASN . 1.2 mm -130.7 156.29 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -114.23 -33.22 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ASN . 11.8 mt -37.03 143.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.48 157.37 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -103.08 110.89 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 91.5 m-70 -116.16 97.33 6.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -178.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 11.5 m-85 -72.03 156.34 90.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.78 147.45 62.74 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -81.14 -9.82 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.67 40.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -32.91 17.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -40.67 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLU . 4.9 mmp_? -87.43 -50.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.8 OUTLIER -36.51 -53.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -64.67 -37.52 87.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HB3' HG11 ' A' ' 83' ' ' VAL . 8.0 mm-40 -63.43 -56.44 16.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.761 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.1 m95 -45.99 -47.52 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.3 t -70.95 -22.49 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -87.83 -22.31 24.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 84' ' ' PRO . 5.4 mt -87.8 -15.79 35.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 46' ' ' VAL . 7.6 p -97.49 -12.25 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.03 79.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' HB3' ' CB ' ' A' ' 51' ' ' PHE . 6.7 mmm180 -122.56 127.35 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -63.26 124.87 22.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 38.81 57.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 52' ' ' VAL . 18.1 t80 -116.49 161.43 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.509 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -169.93 145.05 2.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.148 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.6 Cg_endo -69.77 155.12 66.73 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.6 -74.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.538 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.603 ' CE ' ' CE1' ' A' ' 56' ' ' HIS . 0.9 OUTLIER -129.62 146.48 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.777 0.322 . . . . 0.0 110.935 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.603 ' CE1' ' CE ' ' A' ' 55' ' ' LYS . 36.8 m80 51.99 18.82 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.62 103.34 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -146.29 154.35 41.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 mt -114.04 145.25 41.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.4 m -67.65 171.8 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -95.09 -0.57 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 6.9 mmmm -77.14 -41.15 42.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -53.64 -51.79 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.545 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 68.6 m-85 -74.11 147.78 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.5 -97.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.29 -42.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.87 -19.71 31.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.0 m -83.96 -16.87 42.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 64' ' ' PHE . 81.2 m-85 -99.85 -174.67 2.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.7 OUTLIER -125.94 33.16 5.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.6 OUTLIER -37.45 -32.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 72' ' ' THR . 10.5 t -60.21 85.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 74' ' ' GLN . . . 100.86 103.04 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.4 ' CB ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER 76.55 164.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.23 163.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.607 ' HG3' HD23 ' A' ' 71' ' ' LEU . 6.4 mtp180 -57.05 144.23 35.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ASP . 11.4 mtt-85 -148.1 126.34 12.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.694 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -79.85 116.19 19.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -66.08 137.68 57.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 1.3 ptm -56.54 -20.72 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.413 ' OD1' ' NH1' ' A' ' 38' ' ' ARG . 0.3 OUTLIER -100.57 24.68 8.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -112.7 131.81 55.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.97 151.75 58.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 111.13 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.643 ' O ' HD22 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.75 81.33 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 83' ' ' VAL . 3.0 p -85.65 20.35 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.83 -69.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER 57.74 78.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' PHE . 16.9 m-20 -37.59 107.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -62.18 -168.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.2 t -166.01 -42.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.0 p -104.22 167.15 9.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -107.39 23.58 14.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' O ' ' CB ' ' A' ' 94' ' ' SER . 6.1 mt 50.13 38.9 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 0.8 OUTLIER 77.51 33.45 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 91.37 169.92 42.14 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.81 29.73 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.8 m 56.8 106.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -131.97 93.14 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -102.89 -12.29 17.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.99 173.29 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.24 76.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.41 108.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.79 138.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.6 -126.62 4.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.39 143.76 34.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 175.75 7.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.285 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 t 178.71 154.08 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -149.16 168.75 22.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -78.73 146.98 33.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.758 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -94.77 -27.32 15.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 63' ' ' HIS . . . -51.38 155.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.569 ' HB2' ' NH1' ' A' ' 48' ' ' ARG . . . -99.35 141.53 32.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.81 21.42 79.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 21.6 t -114.79 -80.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 72.62 57.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 m -104.6 122.83 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.03 -66.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -119.64 127.05 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' OD1' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -149.28 165.81 30.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -67.85 -89.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -89.8 70.97 7.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 25' ' ' ILE . 3.6 mm -131.4 100.99 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -98.13 9.4 42.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.861 HD11 ' HD2' ' A' ' 62' ' ' LYS . 3.5 mt -34.76 148.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.22 154.51 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -97.49 105.88 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.538 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 80.9 m-70 -106.78 102.1 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 172.63 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.7 m-85 -77.27 156.17 81.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.712 0.768 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.5 Cg_endo -69.82 127.1 14.07 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.273 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -5.38 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -88.16 143.99 33.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.842 179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -24.77 29.14 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.324 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -66.4 -53.74 32.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 41' ' ' GLU . 18.3 mtt85 -82.57 -40.54 20.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.673 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.9 ttp85 -36.73 -49.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -68.68 -36.06 78.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.633 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.3 mm-40 -62.59 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.776 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.9 m95 -46.44 -33.02 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.745 HG11 ' O ' ' A' ' 51' ' ' PHE . 21.3 t -86.64 -31.43 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.492 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -76.13 -20.92 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.3 mt -83.14 -48.92 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.522 ' HA ' ' CD2' ' A' ' 87' ' ' PHE . 2.2 p -55.79 -24.19 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.79 -4.67 2.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.569 ' NH1' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -42.18 159.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' PHE . 5.9 ttpp -62.45 77.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 49' ' ' LYS . 29.7 m120 34.44 35.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.745 ' O ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -68.53 174.16 4.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.504 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -144.83 146.82 32.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.754 . . . . 0.0 111.096 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -166.76 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.0 41.95 1.48 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 56' ' ' HIS . 1.6 ttpt 179.2 -151.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.541 ' CE1' ' HE3' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -62.12 -11.1 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.868 HG22 ' CE1' ' A' ' 32' ' ' PHE . 94.8 m -44.01 114.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -146.41 148.97 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 13' ' ' ALA . 3.9 mt -113.74 133.29 55.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 27' ' ' ILE . 26.3 m -59.92 -169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.2 p -101.93 -24.36 14.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.861 ' HD2' HD11 ' A' ' 27' ' ' ILE . 9.5 mttm -62.97 -25.1 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' HD12 ' A' ' 86' ' ' ILE . 96.0 m-70 -64.41 -38.85 92.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CD2' HD21 ' A' ' 78' ' ' LEU . 21.9 m-85 -88.21 148.05 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 86' ' ' ILE . 2.1 mt-10 -60.95 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 -42.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.78 -10.74 50.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -82.73 -3.94 57.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 64' ' ' PHE . 71.1 m-85 -107.55 179.81 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -108.65 89.58 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -75.72 -35.51 60.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 72' ' ' THR . 4.7 t -84.05 41.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -150.23 53.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.487 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.26 -72.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 76' ' ' ARG . 0.0 OUTLIER -113.07 169.83 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.418 ' N ' ' OG1' ' A' ' 75' ' ' THR . 3.5 mtm180 -83.65 113.89 21.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' ASP . 65.6 mtt-85 -126.05 134.6 51.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.8 OUTLIER -60.91 115.74 3.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.662 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.4 mtpt -63.85 128.32 35.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 mtp -56.57 -13.72 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.473 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 35.9 t70 -105.61 32.75 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.36 158.68 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -136.62 151.25 72.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.61 0.719 . . . . 0.0 111.177 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.841 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 89.98 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.569 ' HA ' HD22 ' A' ' 45' ' ' LEU . 19.2 p -88.49 27.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.576 HD11 ' HG2' ' A' ' 65' ' ' GLU . 0.6 OUTLIER -146.0 132.93 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 84' ' ' PRO . 20.1 m-85 -168.78 172.85 7.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 60.7 110.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -43.07 149.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.1 m -122.44 -159.36 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 0.9 OUTLIER 63.24 121.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' CB ' ' O ' ' A' ' 91' ' ' THR . 1.2 t-80 77.35 113.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 93' ' ' ILE . 1.6 mm -86.18 128.53 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -17.47 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 132.64 -79.31 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 143.21 50.06 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.88 -73.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.3 m 54.2 26.28 6.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -141.29 -43.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -72.62 -36.45 68.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.5 -166.18 12.91 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -125.15 104.09 8.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 110.892 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -51.27 141.9 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.07 -52.28 0.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.63 156.23 0.12 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 90.56 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.8 m -92.46 139.56 30.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.97 178.35 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -103.89 128.46 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.73 -47.36 70.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.838 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -37.02 107.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.78 -44.41 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.68 52.18 3.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.1 t -151.68 159.74 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.17 36.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -86.24 118.98 26.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 p -131.55 -72.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -161.35 96.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.26 23.28 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.33 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -48.16 -59.02 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -40.15 157.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.78 18.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.4 mt -42.88 133.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 p -76.79 154.36 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 29' ' ' PHE . 49.4 p90 -102.77 113.24 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -110.7 103.56 12.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -59.32 169.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -69.99 156.57 91.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.531 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 138.26 37.39 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 0.0 112.327 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -76.3 -11.03 59.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 146.42 53.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -38.26 7.99 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.8 mmt180 -83.1 -50.74 8.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -37.89 -55.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -34.53 77.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -66.78 -59.8 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.706 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.5 m95 -44.1 -45.0 7.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.514 HG21 ' HD3' ' A' ' 53' ' ' PRO . 59.6 t -73.53 -34.43 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -72.74 -23.26 60.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.656 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.1 mt -85.69 -51.17 6.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.838 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.7 p -57.03 -33.3 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.4 mmm-85 49.32 69.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 49' ' ' LYS . 7.3 mmm-85 -90.79 -57.16 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER 167.01 74.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 38.42 39.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CD2' ' N ' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -94.42 175.93 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.587 ' N ' ' CD2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -148.86 147.15 23.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.605 0.717 . . . . 0.0 111.133 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.514 ' HD3' HG21 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.81 167.06 25.59 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.71 37.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.69 -93.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -134.92 1.31 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -40.32 123.69 1.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -140.36 166.2 25.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.1 mt -138.01 141.21 40.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.609 ' HB3' HD13 ' A' ' 27' ' ' ILE . 20.5 m -60.37 163.56 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.4 p -91.46 -5.49 54.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -76.0 -27.97 57.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.598 ' O ' HD13 ' A' ' 86' ' ' ILE . 75.5 m-70 -64.78 -45.29 86.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 45.8 m-85 -77.06 142.76 39.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -69.76 -97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.54 -36.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -9.61 33.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' O ' HD22 ' A' ' 78' ' ' LEU . 38.4 m -88.97 -8.82 53.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CE1' HD23 ' A' ' 78' ' ' LEU . 79.0 m-85 -110.98 172.06 7.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 77' ' ' ARG . 0.8 OUTLIER -104.69 95.93 6.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -112.52 -35.29 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.0 t -66.44 -10.03 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -114.34 -73.51 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -132.06 -151.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.88 145.99 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 97.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 70' ' ' ASP . 4.8 mtt180 -121.35 131.67 54.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -71.84 120.77 17.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.715 ' N ' HD13 ' A' ' 78' ' ' LEU . 4.1 mtpp -74.12 135.55 42.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.0 ptm -56.83 -22.34 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.78 15.49 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -106.96 133.18 51.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.706 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -119.11 151.64 50.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 111.173 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.656 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.1 Cg_endo -69.72 77.65 1.04 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.2 p -80.84 44.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 63' ' ' HIS . 2.5 mp -139.42 -84.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' N ' HG22 ' A' ' 86' ' ' ILE . 4.0 m-85 45.29 82.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 89' ' ' PHE . 2.1 p30 -120.26 -161.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' OD1' ' A' ' 88' ' ' ASP . 0.2 OUTLIER -123.61 95.91 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 p -118.04 175.49 5.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 91' ' ' THR . 6.4 t -169.86 32.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.37 73.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mm -105.25 75.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 p -107.85 -61.99 1.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.99 78.45 1.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 67.23 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.13 155.97 33.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.5 p -98.19 -39.15 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.467 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.18 5.54 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t 62.02 52.26 3.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.3 18.97 10.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -162.02 150.47 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -117.01 -28.66 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.26 133.18 11.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mtm -94.67 151.22 38.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 137.09 34.63 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 10' ' ' THR . 51.7 m -121.81 1.42 9.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -168.57 154.18 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.08 126.41 34.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -53.2 -24.79 11.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.683 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -59.41 103.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.59 -29.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -114.02 75.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 16.5 t -156.14 161.49 40.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.61 21.63 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.6 m -96.62 109.94 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.5 p -119.44 -53.36 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -154.7 -68.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 70.82 172.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -109.47 -34.84 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 26.8 p80 -115.23 59.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.98 148.38 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.3 -11.43 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.662 HD11 ' CD ' ' A' ' 62' ' ' LYS . 9.0 mt -49.23 144.74 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -176.36 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 58' ' ' PHE . 18.6 m-85 -130.56 107.58 9.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' ND1' ' HB2' ' A' ' 78' ' ' LEU . 98.2 m-70 -113.82 101.23 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -179.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.404 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 5.8 m-85 -75.21 153.79 86.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.749 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 135.89 31.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.649 2.232 . . . . 0.0 112.387 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -69.5 -17.9 63.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.942 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.0 144.46 72.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.48 10.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -57.62 -45.86 84.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 1.2 mmp_? -86.89 -48.32 8.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -37.75 -56.08 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -62.98 -39.57 95.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -58.72 -61.51 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.747 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.2 m95 -40.96 -44.9 2.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.2 t -73.34 -28.29 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.483 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -78.51 -26.91 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.0 mt -81.56 -46.72 14.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' A' ' 14' ' ' ALA . 3.7 p -57.27 -23.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.05 69.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -128.17 162.83 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 49' ' ' LYS . 5.6 mmpt? -59.05 -152.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -77.6 50.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CZ ' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -94.52 142.24 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.1 t -127.4 145.63 55.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.592 0.711 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.4 Cg_endo -69.84 -166.65 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.644 2.229 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.33 19.35 9.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -148.18 -156.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -14.22 7.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.823 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.52 HG22 ' HB2' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -43.88 114.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.468 ' CE2' ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -139.51 160.39 39.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 11.0 mt -124.55 139.94 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 11.0 m -63.71 169.36 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HG ' ' HZ ' ' A' ' 69' ' ' PHE . 1.8 t -90.14 -33.02 16.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.662 ' CD ' HD11 ' A' ' 27' ' ' ILE . 9.7 mtpm? -42.78 -42.31 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.537 ' O ' HD13 ' A' ' 86' ' ' ILE . 60.9 m-70 -55.62 -56.55 19.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -68.55 160.62 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -95.74 -97.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.762 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -146.69 -40.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -12.09 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.645 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -92.99 1.04 57.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.686 ' CE1' HD23 ' A' ' 78' ' ' LEU . 86.6 m-85 -119.3 -174.78 2.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' ARG . 2.7 t70 -103.74 78.72 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.791 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -71.52 -33.51 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 t -77.97 0.91 22.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -104.19 170.88 19.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -40.66 -42.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 t -147.61 166.9 25.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 2.9 ttp180 -64.98 100.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 70' ' ' ASP . 30.8 mtp180 -112.97 127.63 56.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -65.22 120.12 12.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.694 ' N ' HD13 ' A' ' 78' ' ' LEU . 3.8 mtpt -71.43 137.32 48.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 4.7 mtm -60.63 -12.89 11.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.93 25.14 12.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -111.52 129.53 56.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.747 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -117.41 151.84 48.6 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.689 0.757 . . . . 0.0 111.104 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.624 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.78 82.52 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 59.9 p -87.44 31.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 63' ' ' HIS . 3.0 mt -128.6 -79.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 53.69 -174.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -123.27 13.89 9.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -132.52 179.79 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.94 171.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -38.19 102.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 93' ' ' ILE . 11.5 t-160 -121.43 -73.3 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.517 HG23 ' CD2' ' A' ' 92' ' ' HIS . 3.1 pt -125.88 27.76 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.76 86.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.48 -178.49 15.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.49 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 m 71.52 70.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 m -132.68 98.73 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.454 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 38.75 31.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -100.45 111.68 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.5 93.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 3' ' ' SER . 1.4 m -69.76 75.29 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 -4.09 5.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.24 -27.8 73.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.64 149.06 23.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.54 0.686 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 73.12 1.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.31 146.48 48.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.25 168.3 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.87 131.7 34.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -59.31 -43.32 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.803 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -34.45 137.15 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.52 105.16 17.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.11 -5.42 23.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.8 t -86.2 147.14 26.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.3 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.534 HG21 ' SG ' ' A' ' 60' ' ' CYS . 53.1 m -115.35 109.25 17.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 p -144.59 -65.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -117.91 -65.65 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 57.41 165.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -44.13 -85.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -108.91 -81.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 26' ' ' ASN . 0.1 OUTLIER 58.63 152.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.477 ' ND2' ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -144.5 9.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' CYS . 1.9 mt -39.74 152.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.17 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.432 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -102.11 137.13 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.4 m-30 -85.09 108.13 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' CE1' ' H ' ' A' ' 78' ' ' LEU . 94.5 m-70 -110.27 106.7 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptt-85 -61.06 171.22 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.611 ' CE1' HG22 ' A' ' 57' ' ' THR . 4.8 m-85 -64.33 156.2 77.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 53.6 Cg_endo -69.76 141.63 45.77 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -75.6 -18.07 59.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -77.56 149.58 78.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' O ' ' CD ' ' A' ' 40' ' ' LYS . 53.8 Cg_endo -69.79 -46.78 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -49.28 -50.43 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.3 mmt180 -79.1 -51.84 9.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -38.22 -49.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 36' ' ' PRO . 9.0 mtpt -68.4 -37.77 80.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -63.42 -61.4 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.732 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.6 m95 -40.91 -47.95 3.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.489 HG11 ' O ' ' A' ' 51' ' ' PHE . 36.2 t -68.51 -33.31 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -77.08 -21.94 53.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.3 mt -87.45 -47.46 8.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.803 HG23 ' HA ' ' A' ' 14' ' ' ALA . 2.9 p -57.87 -26.3 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.13 73.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -142.78 83.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.5 mttt 40.99 -153.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.08 22.42 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.622 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -55.34 163.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.622 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.1 t -145.31 145.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.629 0.728 . . . . 0.0 111.095 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.21 57.67 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.48 35.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -156.52 -92.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -5.66 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.828 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.611 HG22 ' CE1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -38.83 116.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -137.07 164.0 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 12.0 mt -136.81 139.32 41.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' HB3' HD13 ' A' ' 27' ' ' ILE . 16.6 m -62.37 -174.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -20.06 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HG3' HD11 ' A' ' 27' ' ' ILE . 6.2 mttm -60.34 -21.99 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -77.56 -36.0 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 30.2 m-85 -98.78 136.26 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -62.72 -97.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.46 -40.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -8.44 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.45 -7.43 56.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 78' ' ' LEU . 95.2 m-85 -110.94 -175.95 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' ARG . 1.1 t0 -117.56 93.38 4.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.735 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -98.93 -32.93 11.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 t -73.45 -0.23 14.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 74' ' ' GLN . . . -126.45 38.03 2.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.543 ' O ' HG22 ' A' ' 75' ' ' THR . 2.6 tp-100 78.84 139.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.956 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 74' ' ' GLN . 10.0 t 43.37 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.38 110.93 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 70' ' ' ASP . 44.2 mtt180 -121.61 128.08 51.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.623 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.22 113.06 2.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.597 ' N ' HD13 ' A' ' 78' ' ' LEU . 2.5 mtpm? -55.23 121.03 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.22 -18.82 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.59 35.99 2.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.2 141.7 51.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -124.88 151.95 69.2 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.654 0.74 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.697 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.7 Cg_endo -69.71 89.28 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -79.56 3.0 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.8 122.63 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' O ' ' CE1' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -142.26 -61.15 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.28 160.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.447 ' CE1' ' O ' ' A' ' 87' ' ' PHE . 4.1 m-85 -119.85 -51.74 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.4 t 72.06 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 44.9 m -48.0 110.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.54 166.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.0 tp -62.1 141.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.05 -171.73 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.91 179.7 18.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 159.81 52.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.746 2.297 . . . . 0.0 112.327 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.19 100.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 m -126.2 -37.89 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.491 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -128.4 20.7 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -101.96 110.59 22.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.06 117.17 0.74 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 p -174.07 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.65 165.33 29.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.98 -146.01 16.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.95 144.22 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.824 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.44 3.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.9 m -59.7 151.08 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' CYS . 1.3 p30 -154.96 169.69 23.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 15.0 t -34.73 141.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' HB2' HG22 ' A' ' 57' ' ' THR . . . -78.12 -41.45 35.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.913 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -39.5 142.74 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.89 -95.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.46 96.96 2.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 42.1 t -139.19 -61.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 74.65 78.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.422 HG21 ' SG ' ' A' ' 60' ' ' CYS . 7.4 m -155.37 121.88 5.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 m -108.96 -66.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ASN . 2.0 t80 -141.26 -41.27 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' TYR . 1.6 m-20 36.9 90.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.8 mttp -74.41 -8.47 56.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.4 -3.35 49.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 3.8 mp -130.84 -46.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 25' ' ' ILE . 1.1 m-20 80.61 24.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.9 mt -38.17 143.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.79 165.43 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 6.3 m-85 -122.65 105.84 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 68.5 m-70 -112.23 104.82 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.36 160.77 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 15.6 m-85 -51.13 159.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.3 Cg_endo -69.79 173.16 11.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -112.47 1.51 15.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.971 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.98 151.37 41.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.634 0.731 . . . . 0.0 110.849 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.69 37.72 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -79.02 -48.13 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 38' ' ' ARG . 0.9 OUTLIER -74.84 -42.16 58.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.635 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.3 ttm-85 -45.8 -52.26 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.35 -33.12 70.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -72.17 -59.11 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.703 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.7 m95 -52.84 -43.72 66.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 39' ' ' ARG . 57.9 t -69.48 -28.91 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.161 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -81.78 -28.53 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 84' ' ' PRO . 5.3 mt -81.88 -28.52 32.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG23 ' HA ' ' A' ' 14' ' ' ALA . 8.4 p -85.21 -24.33 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 46.12 68.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.837 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -108.81 32.32 4.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' PHE . 10.4 tppt? 73.86 64.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 t30 38.46 30.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -66.74 174.61 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -130.05 145.08 55.69 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.141 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.465 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 54.1 Cg_endo -69.79 144.68 54.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.337 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -122.0 -81.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -148.13 -71.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -58.17 -37.19 74.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.43 HG21 ' CZ ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER -41.0 99.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -124.31 170.44 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 17.3 mt -130.86 144.4 51.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' HG21 ' A' ' 19' ' ' THR . 28.6 m -66.35 165.76 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.88 -47.2 13.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -39.11 -31.92 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.741 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.8 m-70 -56.8 -55.72 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 78' ' ' LEU . 15.2 m-85 -66.96 153.65 43.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.705 ' CG ' HD11 ' A' ' 86' ' ' ILE . 39.1 mt-10 -79.83 -97.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.547 ' O ' HD21 ' A' ' 71' ' ' LEU . . . -151.37 -39.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.39 -8.06 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 67.2 m -84.65 -4.35 58.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -105.59 176.6 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -96.82 69.5 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.784 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -62.95 -62.15 1.91 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -44.53 -22.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.177 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 71' ' ' LEU . . . -75.22 -129.37 0.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.502 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.46 -44.05 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.455 HG23 ' HG3' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -126.75 154.55 44.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.4 90.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' HG3' HG23 ' A' ' 75' ' ' THR . 49.3 mtt180 -112.42 130.95 55.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.62 ' CD1' ' HB3' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -66.76 115.0 6.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -68.85 147.41 51.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.835 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -40.08 80.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.417 ' CG ' ' NH2' ' A' ' 38' ' ' ARG . 14.7 m-20 -85.75 28.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.62 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -109.11 125.63 52.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.9 150.58 44.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.609 0.719 . . . . 0.0 111.104 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.832 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.6 Cg_endo -69.78 91.35 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.1 p -85.09 47.57 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 63' ' ' HIS . 83.4 mt -148.99 -91.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.702 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.5 m-85 63.9 90.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.41 85.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' O ' ' CB ' ' A' ' 90' ' ' CYS . 0.3 OUTLIER -86.63 71.11 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER 76.94 94.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.46 7.13 28.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.73 167.83 21.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 pt -86.67 109.27 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 p -173.77 155.74 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.72 177.18 41.62 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 121.27 7.96 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.8 p -101.48 136.93 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 p -67.11 146.42 54.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.55 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m 44.38 35.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 p -106.24 -14.7 15.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.34 82.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.49 -51.29 44.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -134.51 -167.17 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.46 42.02 2.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 172.28 146.31 0.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.549 0.69 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 115.93 4.32 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 56' ' ' HIS . 34.3 p -53.88 154.32 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.535 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 0.1 OUTLIER -109.1 159.16 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.865 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 59' ' ' LEU . 44.4 t -70.07 114.65 8.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . . . -54.6 -18.53 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' N ' HD21 ' A' ' 59' ' ' LEU . . . -39.89 161.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' N ' HG23 ' A' ' 46' ' ' VAL . . . -102.99 33.09 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.46 50.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 37.7 t -125.39 -82.65 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . 83.38 100.02 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.083 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 19' ' ' THR . 0.5 OUTLIER -124.71 6.29 8.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' TYR . 1.0 OUTLIER -47.31 123.23 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' THR . 0.2 OUTLIER 34.47 82.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -94.37 126.66 39.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 133.43 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 56.83 35.84 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -136.02 154.68 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.479 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 3.5 m-80 -144.92 30.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.474 HD11 ' HD3' ' A' ' 62' ' ' LYS . 1.7 mt -44.23 137.32 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.52 179.56 5.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 5.5 m-85 -127.66 103.62 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CD2' ' HB3' ' A' ' 61' ' ' SER . 94.9 m-70 -103.42 101.74 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.4 169.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.0 157.17 87.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.535 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.7 Cg_endo -69.79 128.3 15.8 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.38 2.35 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.62 141.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.495 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 53.3 Cg_endo -69.76 -16.58 37.6 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.305 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -75.46 -41.71 54.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.493 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 26.7 mmt180 -93.53 -41.08 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.4 ttt180 -38.3 -36.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -79.41 -45.44 19.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HB3' HG11 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -56.44 -53.62 55.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.79 ' CD1' HG12 ' A' ' 83' ' ' VAL . 14.1 m95 -50.47 -58.44 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.833 HG12 ' NE ' ' A' ' 48' ' ' ARG . 23.6 t -60.76 -20.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.49 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER -86.77 -20.11 28.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.871 HD13 ' HG2' ' A' ' 84' ' ' PRO . 3.9 mt -87.31 -41.75 13.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -50.12 -33.8 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 75.46 28.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.833 ' NE ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -74.22 -152.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.46 ' N ' ' HG2' ' A' ' 48' ' ' ARG . 6.0 mtpt -131.61 81.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 m120 51.42 46.63 26.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -96.48 170.2 9.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' N ' ' CG ' ' A' ' 51' ' ' PHE . 1.2 t -155.53 145.54 15.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.723 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.638 ' HA ' HG21 ' A' ' 57' ' ' THR . 53.7 Cg_endo -69.79 138.75 38.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.17 -74.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 -45.94 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.317 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB3' HG22 ' A' ' 10' ' ' THR . 2.1 m80 -110.7 56.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.638 HG21 ' HA ' ' A' ' 53' ' ' PRO . 0.2 OUTLIER -113.04 118.47 34.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -148.6 173.62 12.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 6.0 mt -139.7 130.78 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 63' ' ' HIS . 10.3 m -39.97 160.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 1.3 p -90.94 -38.71 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' HD3' HD11 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -34.36 -52.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 53.2 m-70 -49.06 -60.76 2.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.742 ' CD2' HD21 ' A' ' 78' ' ' LEU . 73.6 m-85 -58.17 146.78 32.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.88 ' HG3' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -94.69 -170.02 2.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -20.58 56.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.44 -0.27 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' ' HB1' ' A' ' 82' ' ' ALA . 2.1 m -109.05 -9.96 15.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CD2' ' O ' ' A' ' 65' ' ' GLU . 55.5 m-85 -106.61 174.14 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.72 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.54 -55.4 3.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 72' ' ' THR . 8.2 t -56.87 80.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 139.93 -32.31 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.22 175.99 9.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -49.22 165.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 104.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -126.5 125.64 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -67.1 113.61 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.2 mtpp -59.86 131.98 52.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -21.6 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.07 34.95 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -123.52 141.48 51.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.79 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -120.26 151.04 52.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.142 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.871 ' HG2' HD13 ' A' ' 45' ' ' LEU . 54.0 Cg_endo -69.75 92.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.9 p -74.51 4.97 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.88 HD11 ' HG3' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -134.31 149.68 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -164.01 -66.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.43 -46.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.19 175.65 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 44.1 t 63.02 117.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -136.49 -71.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -152.9 101.39 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -98.85 52.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 m 57.0 83.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' PRO . . . -157.22 50.92 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.421 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 95' ' ' GLY . 53.1 Cg_endo -69.82 -2.05 9.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -88.7 -84.52 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 p -111.84 157.52 20.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.479 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -78.32 -32.64 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.57 114.76 29.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.14 -90.53 1.61 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t 61.5 93.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.99 172.86 6.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.92 -118.41 0.44 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.78 151.28 73.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.627 0.727 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 131.21 20.73 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 m -109.92 132.71 53.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' OD1' HG22 ' A' ' 20' ' ' THR . 4.5 t-20 -138.17 178.63 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.3 t -86.9 137.2 32.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.14 -2.27 50.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.622 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -55.76 -170.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.09 101.67 14.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 54.81 79.54 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.0 t -138.1 -75.42 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.51 90.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -108.59 6.94 26.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.639 HG23 ' H ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -34.91 -78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.639 ' H ' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -66.23 88.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' HIS . 15.8 m-20 -100.3 90.19 4.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' HIS . 40.4 mttt -55.64 86.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 24' ' ' HIS . 9.0 t-160 36.83 64.41 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' A' ' 26' ' ' ASN . 2.5 mt -90.91 -85.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 25' ' ' ILE . 7.0 m-20 158.08 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.804 HD11 ' CD ' ' A' ' 62' ' ' LYS . 20.4 mt -48.8 147.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.47 171.97 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CD2' ' O ' ' A' ' 29' ' ' PHE . 43.5 p90 -117.46 104.48 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 92.7 m-70 -113.45 103.19 11.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 173.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.44 156.76 91.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.556 ' HG3' ' CD1' ' A' ' 42' ' ' TRP . 54.0 Cg_endo -69.77 138.56 38.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.713 2.275 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.45 -14.69 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -80.4 147.11 63.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.824 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -37.61 8.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.359 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -57.87 -47.75 81.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 29.0 mmt180 -83.35 -47.67 11.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -40.18 -50.82 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -66.28 -32.77 74.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -68.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.778 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.5 m95 -39.21 -33.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' HA ' HG12 ' A' ' 46' ' ' VAL . 42.8 t -86.13 -35.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -71.86 -22.91 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' O ' ' A' ' 84' ' ' PRO . 4.5 mt -84.67 -48.34 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 14' ' ' ALA . 6.6 p -59.9 -11.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER 82.65 -47.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.96 93.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 47' ' ' ARG . 2.5 mtpt -76.27 -46.36 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -77.3 49.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.815 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.2 OUTLIER -150.24 153.5 36.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -150.46 144.68 17.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.723 . . . . 0.0 111.151 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.45 30.93 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.06 39.86 0.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -171.04 -150.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -2.75 18.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.815 HG21 ' CE1' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -48.9 124.22 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -146.42 166.51 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 mt -132.63 139.6 47.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.1 m -63.21 163.69 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.89 -12.85 29.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.804 ' CD ' HD11 ' A' ' 27' ' ' ILE . 2.0 mtpt -62.3 -45.87 91.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.702 ' O ' HD13 ' A' ' 86' ' ' ILE . 57.7 m-70 -56.55 -47.03 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 60.3 m-85 -62.96 170.45 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.921 ' HG3' HD11 ' A' ' 86' ' ' ILE . 34.3 mt-10 -95.61 -14.84 23.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 75.98 -7.35 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.74 0.0 36.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -107.18 3.15 25.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.615 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 4.1 m-85 -80.54 -178.83 6.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' ARG . 3.1 t0 -103.82 93.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 71' ' ' LEU . 0.9 OUTLIER -108.92 -23.64 11.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.64 -19.96 63.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.69 -80.34 1.26 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -119.38 -150.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t -55.17 161.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.77 100.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' ASP . 49.6 mtp85 -119.1 128.25 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.615 HD23 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -63.85 111.33 2.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.556 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mttp -58.41 137.12 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -7.13 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -107.6 18.14 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -105.79 141.81 36.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.778 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -129.65 151.82 78.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.658 ' O ' HD22 ' A' ' 45' ' ' LEU . 54.3 Cg_endo -69.75 88.62 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 p -78.12 6.97 6.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.921 HD11 ' HG3' ' A' ' 65' ' ' GLU . 1.6 mp -124.55 161.08 28.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.535 ' CZ ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 m-85 174.49 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.88 85.13 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.92 115.52 19.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 68.06 97.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.48 -20.4 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -112.09 149.76 31.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.38 122.65 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.79 148.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 142.77 -65.95 0.47 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.64 4.18 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.07 13.97 3.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 m -116.88 178.78 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -158.98 153.77 24.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -166.69 66.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.18 160.14 21.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.87 93.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.04 100.81 2.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.45 -179.83 18.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtm -45.94 151.86 0.83 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.553 0.692 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 114.29 3.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.55 151.65 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -146.47 150.78 36.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -78.54 131.77 36.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 57' ' ' THR . . . -74.11 -27.74 61.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.789 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -69.5 103.49 2.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.4 164.9 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.53 -46.57 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.5 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.97 -80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.83 65.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.25 133.76 37.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.6 p -124.96 -171.74 2.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -59.37 -56.61 19.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 75.67 -159.41 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -90.34 -9.2 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -151.77 -94.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.417 ' H ' ' CD2' ' A' ' 24' ' ' HIS . 16.1 mm 59.69 150.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 18.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.599 HD11 ' CD ' ' A' ' 62' ' ' LYS . 1.5 mt -74.78 131.93 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -72.89 136.24 45.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 24.4 p90 -94.43 114.82 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -114.37 96.39 5.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 164.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 53' ' ' PRO . 8.7 m-85 -56.46 158.96 7.16 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD3' ' CD2' ' A' ' 42' ' ' TRP . 53.9 Cg_endo -69.83 151.85 68.81 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.667 2.244 . . . . 0.0 112.359 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -86.85 -14.13 42.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.37 149.35 54.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.641 0.734 . . . . 0.0 110.849 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -38.63 7.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -55.94 -43.57 77.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLU . 24.9 mmt180 -85.99 -49.44 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.546 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.9 ttm180 -37.17 -53.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -65.44 -32.7 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 83' ' ' VAL . 1.9 mt-10 -65.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.736 ' CD1' HG12 ' A' ' 83' ' ' VAL . 13.0 m95 -42.72 -46.2 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 39' ' ' ARG . 22.0 t -70.25 -31.62 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -32.28 64.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD13 ' HG2' ' A' ' 84' ' ' PRO . 9.8 mt -75.9 -38.46 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.789 HG23 ' HA ' ' A' ' 14' ' ' ALA . 14.2 p -77.48 -30.93 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' HD2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER 50.0 64.37 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.666 ' CD ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -110.49 35.7 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 0.9 OUTLIER 82.04 -164.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.844 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -78.38 46.72 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -88.52 158.15 18.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -138.57 144.37 42.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.644 0.735 . . . . 0.0 111.125 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.54 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 53.9 Cg_endo -69.77 73.85 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -121.32 -12.41 5.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -121.34 -170.5 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.352 . . . . 0.0 110.927 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -59.56 82.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.821 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.659 HG23 ' HB2' ' A' ' 13' ' ' ALA . 3.5 m -136.48 123.29 21.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CD1' ' HA ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -142.37 161.76 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 13' ' ' ALA . 10.4 mt -119.75 138.02 53.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.4 m -63.09 143.17 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -27.83 68.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 27' ' ' ILE . 3.0 mtpm? -51.3 -37.97 50.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -59.4 -37.64 78.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.501 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 24.5 m-85 -88.6 146.51 25.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.37 -97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.45 -38.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 m -61.22 -13.7 20.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' HD22 ' A' ' 78' ' ' LEU . 55.8 m -87.38 -0.63 57.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.618 ' CE1' HD23 ' A' ' 78' ' ' LEU . 92.1 m-85 -121.52 175.71 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -108.16 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -67.33 -70.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -37.23 -32.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . -63.36 161.28 34.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.31 -39.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t -151.02 154.63 37.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG3' HD13 ' A' ' 71' ' ' LEU . 3.3 ttp180 -57.21 101.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -112.43 128.2 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.618 HD23 ' CE1' ' A' ' 69' ' ' PHE . 0.7 OUTLIER -66.2 113.07 4.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmt -53.43 130.6 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -18.6 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.38 32.91 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 79' ' ' LYS . . . -115.29 134.03 55.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.736 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -114.21 151.33 44.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.742 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.71 90.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.404 ' C ' HG13 ' A' ' 86' ' ' ILE . 41.1 p -58.26 -11.27 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.538 HG22 ' H ' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -133.89 -152.41 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.111 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.538 ' H ' HG22 ' A' ' 86' ' ' ILE . 0.1 OUTLIER 167.99 -64.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 71.51 123.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 7.8 p90 -94.19 148.31 22.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.2 m -102.52 160.19 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -166.8 155.21 10.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 -42.37 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -96.77 132.7 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.91 61.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.99 159.14 8.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 116.08 4.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.0 117.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -104.56 -4.72 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.508 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -131.55 -167.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.24 -164.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.26 42.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.04 173.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.88 165.73 32.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.04 69.97 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.97 148.13 31.59 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.715 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 133.33 25.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.25 . . . . 0.0 112.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 m 72.08 136.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.92 153.92 3.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' SG ' HD23 ' A' ' 59' ' ' LEU . 42.5 t -61.5 132.15 52.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' O ' ' NH1' ' A' ' 48' ' ' ARG . . . -76.83 -19.85 57.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.135 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.831 ' HA ' HG23 ' A' ' 46' ' ' VAL . . . -56.46 124.21 17.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.52 120.55 22.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.18 23.23 25.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.8 t -123.27 -66.47 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.87 105.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.24 127.23 11.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.49 -67.85 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -138.1 -41.61 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.2 t30 60.4 -88.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -150.2 -42.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -149.19 22.64 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.6 139.49 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.38 15.55 6.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' HB3' ' A' ' 60' ' ' CYS . 0.6 OUTLIER -58.1 138.78 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.0 t -68.82 164.15 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 15.8 p90 -121.52 106.36 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 89.6 m-70 -114.79 96.42 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.64 177.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -71.78 155.92 91.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HA ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.28 -25.32 54.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.86 147.06 88.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.866 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -42.94 3.02 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.405 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -46.8 62.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' CG ' ' A' ' 33' ' ' PRO . 24.9 mmt180 -83.15 -52.34 6.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.582 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.3 ttt180 -37.54 -52.77 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.94 -38.92 92.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.518 ' CB ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -60.98 -57.57 12.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.724 ' CD1' HG12 ' A' ' 83' ' ' VAL . 15.6 m95 -46.01 -38.28 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 39' ' ' ARG . 11.7 t -80.63 -26.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -21.4 35.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD13 ' HG2' ' A' ' 84' ' ' PRO . 7.2 mt -88.19 -38.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.831 HG23 ' HA ' ' A' ' 14' ' ' ALA . 5.8 p -67.06 -15.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.114 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 74.52 47.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' NH1' ' O ' ' A' ' 13' ' ' ALA . 19.2 mtt180 -149.02 56.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -57.35 -27.7 62.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -68.17 -15.83 63.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.746 ' CE1' HG21 ' A' ' 57' ' ' THR . 0.0 OUTLIER -104.07 166.64 10.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.571 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -158.94 145.24 12.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.165 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.41 46.05 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.55 -35.17 0.43 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.61 -94.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -132.3 -0.52 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.746 HG21 ' CE1' ' A' ' 51' ' ' PHE . 3.7 m -36.89 125.45 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -141.42 175.48 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.542 ' N ' ' CD2' ' A' ' 58' ' ' PHE . 11.2 mt -136.76 142.28 43.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.594 ' HB3' HD13 ' A' ' 27' ' ' ILE . 14.1 m -59.91 166.48 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.55 -34.0 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.56 -42.22 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -50.46 -57.33 8.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CZ ' ' CH2' ' A' ' 42' ' ' TRP . 65.1 m-85 -71.35 141.56 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.56 -97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.94 -37.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 m -60.46 -16.18 33.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -87.94 -6.96 57.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.522 ' CE1' HD23 ' A' ' 78' ' ' LEU . 83.9 m-85 -117.26 175.6 5.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -104.61 101.34 10.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -93.31 -69.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' LEU . 14.8 t 34.16 33.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' LEU . . . 61.69 84.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 73' ' ' GLY . 0.4 OUTLIER 171.15 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.879 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 76' ' ' ARG . 11.7 t -126.09 -153.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 71' ' ' LEU . 3.2 ttp180 -150.59 96.72 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -108.99 128.39 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.587 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -66.69 111.79 3.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.579 ' N ' HD13 ' A' ' 78' ' ' LEU . 1.5 mtpp -67.48 137.35 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.4 mmm -59.02 -22.72 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -96.15 18.99 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB1' ' HB3' ' A' ' 68' ' ' CYS . . . -106.95 132.15 53.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.724 HG12 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -121.48 151.39 56.51 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.142 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' HG2' HD13 ' A' ' 45' ' ' LEU . 53.8 Cg_endo -69.75 80.67 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.2 p -88.89 29.48 1.03 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.04 -68.6 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 41.82 65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.34 -165.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -110.7 159.01 17.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.58 62.67 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -74.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -68.78 -58.86 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -87.45 130.89 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.15 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -140.52 -58.95 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.95 68.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 95.12 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.332 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.81 72.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.09 -177.74 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_