data_2lv7_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 2lv7 _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 ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.324 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.01 -19.45 61.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.166 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.54 -27.84 56.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.05 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.41 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' HG21 ' A' ' 44' ' ' VAL . 41.8 tt0 -38.76 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -70.92 -82.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -73.77 -20.31 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tppt? -69.23 -40.85 77.68 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.452 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 41' ' ' ALA . 35.9 m -66.8 -34.23 68.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.041 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 39.6 m-85 -60.69 -18.24 52.82 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -72.96 96.16 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -60.81 -36.54 79.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.686 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.09 -20.46 52.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.467 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 14.94 16.52 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.788 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.26 -2.9 17.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.5 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.555 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -123.2 150.96 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.738 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 27.2 mt -113.92 121.21 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -85.71 178.2 7.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 22.7 mtmm -60.61 -58.7 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.514 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -52.22 -31.24 31.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.42 -47.5 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' O ' HD13 ' A' ' 58' ' ' LEU . 1.2 tm? -60.46 -28.88 68.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.2 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.36 -20.27 65.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.906 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.48 -22.33 24.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.165 0.507 . . . . 0.0 110.178 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.39 -49.72 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.218 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.5 mtp -59.78 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.609 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -53.9 -32.65 54.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.108 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -58.96 -40.76 85.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.583 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.12 -20.31 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 17.82 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 17.1 m-85 -126.0 92.03 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.508 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -82.51 110.84 24.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.222 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.3 Cg_endo -89.99 148.33 4.73 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.661 2.241 . . . . 0.0 112.444 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -84.35 169.87 14.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HA ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -62.49 -14.95 47.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.135 179.157 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.78 -26.56 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.669 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 76' ' ' VAL . 9.4 mm-40 -90.02 -47.54 7.77 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -54.4 -14.54 1.26 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.704 0.287 . . . . 0.0 111.426 -178.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' N ' HD21 ' A' ' 74' ' ' LEU . 47.2 mt-10 -80.7 -38.22 29.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.399 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.432 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 16.9 m -82.12 -19.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.723 0.297 . . . . 0.0 111.714 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.94 -33.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.564 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.473 HG13 ' HA ' ' A' ' 55' ' ' LYS . 7.7 mm -71.89 -28.81 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.77 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 11.0 pt20 -76.37 -9.7 58.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.744 0.307 . . . . 0.0 110.905 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -79.08 -33.22 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 81' ' ' LEU . 3.2 mm? -94.28 -39.99 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.048 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.18 84.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.3 ptp -77.43 -37.99 50.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.634 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.18 -26.01 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.579 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.2 58.64 2.42 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.239 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -112.38 5.06 17.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.691 0.282 . . . . 0.0 111.101 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.51 -18.82 16.99 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.605 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.29 165.58 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 36.3 t -102.74 132.25 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -93.33 153.19 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.62 -58.38 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.538 ' O ' HG11 ' A' ' 95' ' ' VAL . 43.9 mt-10 -46.09 -59.35 2.93 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.44 -40.95 13.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.866 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 79.3 t80 -84.82 -21.29 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -77.49 -30.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.426 -179.206 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.6 m -75.0 -47.09 30.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.292 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.11 -14.35 62.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.662 0.267 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.0 -25.25 67.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 110.675 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.41 -27.43 60.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.98 -52.23 51.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 10.4 mtp180 -64.51 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.31 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -38.38 -31.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -67.91 -83.68 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.523 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 23.9 m-85 -75.05 -19.5 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.0 tppt? -67.43 -38.67 84.91 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -70.18 -34.63 59.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.032 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.0 m-85 -60.82 -18.06 53.37 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.007 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.31 90.1 4.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.609 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -55.3 -34.84 64.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.288 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.46 -19.99 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.364 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.01 12.32 22.04 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.052 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.479 HD22 HE22 ' A' ' 88' ' ' GLN . 17.9 p-10 -67.77 -4.72 13.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.689 0.281 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.93 -19.83 52.66 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.216 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.64 129.71 56.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.68 0.276 . . . . 0.0 110.5 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.8 mt -92.87 134.38 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 111.454 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.8 m -91.83 176.14 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.272 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.602 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.59 -50.23 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 111.034 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.494 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.59 -38.33 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -43.83 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -26.23 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.866 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.51 -18.2 69.57 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.827 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.418 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 37.9 m -87.63 -24.57 23.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.21 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.3 -46.51 55.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.953 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.6 mmm -61.66 -49.42 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 11.5 ptp180 -57.5 -29.69 64.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.05 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 t -57.79 -37.33 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -76.51 -16.38 59.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.64 11.01 8.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.615 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 27.5 m-85 -122.98 94.42 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.664 0.269 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.1 ptm -78.11 111.57 19.33 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.563 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -90.2 144.6 4.14 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.829 2.352 . . . . 0.0 112.171 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.526 ' ND2' ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -86.56 179.28 6.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.76 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.23 -19.95 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.349 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' H ' HD21 ' A' ' 70' ' ' ASN . 39.0 t -90.33 -30.57 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.672 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 28.0 mm-40 -72.61 -52.81 13.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.695 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.514 HD12 ' HG2' ' A' ' 75' ' ' GLU . 2.8 pp -54.16 -16.9 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HG2' HD12 ' A' ' 74' ' ' LEU . 31.8 mm-40 -82.71 -32.84 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.1 -22.8 6.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -80.89 -24.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 111.592 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.565 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.1 mm -79.56 -35.25 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -62.56 -27.43 69.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.526 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' HB2' HD23 ' A' ' 81' ' ' LEU . 2.9 mmp_? -60.0 -38.92 84.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.352 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 81' ' ' LEU . 2.3 mm? -91.18 -45.63 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.195 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.402 ' OD2' ' HA2' ' A' ' 85' ' ' GLY . 33.1 t70 -68.65 83.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.1 ptp -84.03 -44.28 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.005 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -68.45 -20.69 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.402 ' HA2' ' OD2' ' A' ' 82' ' ' ASP . . . 82.18 57.43 2.65 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.021 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -108.22 4.74 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.11 2.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.479 HE22 HD22 ' A' ' 50' ' ' ASN . 52.5 mt-30 -130.78 150.06 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.667 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.99 120.72 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -83.71 157.49 22.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.43 -59.78 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.749 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.475 ' O ' HG11 ' A' ' 95' ' ' VAL . 45.6 mt-10 -50.07 -55.93 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.723 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -46.21 -37.59 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -91.04 -23.73 20.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.475 HG11 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -75.7 -26.97 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.5 m -87.55 -47.67 8.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.721 0.295 . . . . 0.0 111.377 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.96 -20.62 58.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.679 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.641 HD11 HD11 ' A' ' 38' ' ' ILE . 15.6 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.806 0.336 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.96 -34.33 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.27 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 35' ' ' LEU . 22.8 mt -68.65 -44.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 12.8 mtp180 -69.09 -68.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.371 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -38.96 -31.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -66.95 -81.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.538 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 5.3 m-85 -74.05 -30.25 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tppt? -58.22 -39.38 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 41' ' ' ALA . 32.6 m -71.96 -34.63 51.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.538 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 40.8 m-85 -60.57 -17.88 49.08 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -76.54 97.4 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -54.71 -39.85 68.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.945 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.41 -19.4 53.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.77 15.51 27.21 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.802 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -74.59 4.0 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 111.24 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.16 -16.4 58.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -112.9 136.11 52.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.3 mt -108.4 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.582 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -66.09 -178.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.487 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.6 mppt? -64.58 -55.61 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -51.55 -42.52 61.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.578 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.57 -45.74 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.053 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 62' ' ' MET . 0.9 OUTLIER -62.13 -26.92 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.008 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.56 -21.7 67.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.02 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.7 m -88.54 -21.77 23.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -46.91 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.084 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.487 ' HE2' HD12 ' A' ' 58' ' ' LEU . 25.5 mmt -63.63 -49.81 71.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.538 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -32.06 63.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.9 t -55.85 -36.5 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.12 -17.11 51.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.88 19.06 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 54.9 m-85 -126.39 90.88 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.2 ptm -85.99 109.93 26.6 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 73.3 Cg_endo -88.65 151.66 6.23 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.751 2.3 . . . . 0.0 112.265 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -85.94 171.69 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.687 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.1 pt-20 -60.04 -23.82 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -91.23 -19.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -87.59 -55.04 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.638 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.2 pt? -54.63 -15.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.74 -32.57 27.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.529 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.469 ' HA ' HE21 ' A' ' 79' ' ' GLN . 26.3 m -89.53 -26.99 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.484 HG21 HH21 ' A' ' 80' ' ' ARG . 6.0 mt -73.24 -38.39 54.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.539 HG13 ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.25 -43.59 82.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.471 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 76' ' ' VAL . 46.2 mt-30 -52.11 -41.61 62.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.601 0.238 . . . . 0.0 111.416 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.484 HH21 HG21 ' A' ' 77' ' ' ILE . 62.9 mtm180 -45.99 -38.85 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.555 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.8 mp -91.59 -40.01 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.52 84.34 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mtp -59.99 -48.19 82.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.375 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.48 -21.08 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.61 38.47 68.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.569 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.16 -16.38 53.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.001 0.401 . . . . 0.0 110.496 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.23 -21.74 23.94 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.715 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -128.77 133.47 48.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.48 126.93 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.732 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -87.24 154.13 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.02 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 95' ' ' VAL . 19.0 t80 -45.84 -57.97 3.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.968 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.539 ' HA ' HG23 ' A' ' 95' ' ' VAL . 45.9 mt-10 -51.44 -51.76 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.784 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.8 -25.3 18.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.783 0.325 . . . . 0.0 111.254 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -90.37 -36.77 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.539 HG23 ' HA ' ' A' ' 92' ' ' GLU . 15.9 m -62.7 -30.7 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.536 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.4 m -78.94 -47.02 17.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 0.0 111.479 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -22.93 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.734 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.7 -30.0 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.705 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.3 -29.82 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.218 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 98' ' ' LEU . 64.4 mt -70.7 -49.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.011 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.0 mtp180 -68.0 -70.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.416 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -39.06 -31.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -64.52 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 32.3 m-85 -77.12 -28.33 54.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.2 -40.46 77.47 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.358 -0.137 . . . . 0.0 111.29 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 41' ' ' ALA . 22.4 m -73.17 -35.84 48.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 25.2 m-85 -58.41 -18.59 29.3 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.56 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -71.2 90.73 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.099 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -54.87 -40.56 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.619 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.78 -19.33 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.88 19.0 19.99 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.045 -0.597 . . . . 0.0 113.075 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -74.63 0.67 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.763 0.316 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.78 -11.03 66.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.05 143.72 49.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.733 0.302 . . . . 0.0 110.484 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 15.0 mt -109.69 109.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 111.566 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -69.45 -178.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.12 -50.51 67.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 111.517 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.85 -35.88 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.483 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.19 -49.2 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.294 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -19.72 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.87 70.0 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.741 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.6 m -89.99 -21.96 22.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.128 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.164 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.85 -47.52 65.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.669 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -56.96 -26.15 59.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.5 t -60.98 -43.32 99.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.12 -16.64 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.37 9.4 10.42 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.4 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 62.9 m-85 -121.53 96.85 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.619 0.247 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -79.88 111.41 21.35 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -89.11 147.79 5.51 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -96.35 -175.24 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.868 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.575 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -86.77 -19.58 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.699 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.05 -50.86 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.84 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.5 pp -55.74 -13.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG3' HD11 ' A' ' 74' ' ' LEU . 48.8 mt-10 -87.27 -30.58 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -90.11 -25.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.92 -22.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.719 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.616 HG13 ' HG3' ' A' ' 55' ' ' LYS . 28.2 mm -90.05 -17.98 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -81.71 -14.03 57.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -82.02 -51.24 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.77 -41.2 68.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.097 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -69.43 82.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mtp -77.6 -45.32 25.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.444 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.1 p30 -68.17 -9.59 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.394 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.06 31.79 80.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.254 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.55 -12.93 60.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 -30.45 10.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.27 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -118.52 174.45 6.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.4 123.55 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.429 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.45 149.36 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.983 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.09 -32.82 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.0 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.475 ' HA ' HG23 ' A' ' 95' ' ' VAL . 44.7 mt-10 -71.75 -51.49 22.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.359 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.68 -20.46 48.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.332 . . . . 0.0 111.061 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -89.11 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.58 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 92' ' ' GLU . 6.8 m -56.48 -32.18 35.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 m -77.92 -46.22 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.711 0.264 . . . . 0.0 111.711 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.73 -18.21 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.676 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 38' ' ' ILE . 4.5 pp . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.715 0.293 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD13 HD11 ' A' ' 38' ' ' ILE . 5.3 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.628 0.251 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.73 -27.73 66.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.774 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.13 -26.94 56.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.468 HD11 HD13 ' A' ' 35' ' ' LEU . 23.3 mt -70.33 -48.23 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 13.0 mtp180 -68.27 -70.83 0.24 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.398 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -38.83 -31.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.91 -77.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.1 m-85 -77.88 -20.58 52.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 5.4 tppt? -67.03 -37.77 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.067 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.9 m -73.32 -35.35 46.2 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.028 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.5 m-85 -60.49 -18.07 49.25 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.39 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -73.03 90.75 1.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.951 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -54.08 -40.09 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.812 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.2 -20.11 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 111.144 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.08 20.05 40.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.005 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.88 -0.22 23.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 -18.8 56.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -113.77 139.59 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 13.8 mt -103.16 121.7 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.074 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.9 m -83.64 -177.86 6.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.9 mppt? -64.76 -51.62 61.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 111.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -59.19 -28.28 66.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.406 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -83.4 -50.1 8.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.05 -27.09 66.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.217 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.54 -19.98 71.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -87.61 -21.36 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.197 0.522 . . . . 0.0 110.162 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.36 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.306 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.59 -44.79 96.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.491 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 65' ' ' LEU . 14.2 ptm180 -60.28 -24.4 64.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -75.68 12.52 1.02 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 63' ' ' ARG . 47.6 mt -120.7 -20.44 7.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.9 15.78 6.09 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.17 89.97 2.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.721 0.296 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.22 111.17 4.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.1 135.23 3.79 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.596 2.198 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.49 HD21 ' H ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -93.23 -177.84 4.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.42 -22.66 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' H ' HD21 ' A' ' 70' ' ' ASN . 21.6 t -90.0 -23.69 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.573 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.41 -55.57 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.883 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -56.93 -14.1 3.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 74' ' ' LEU . 53.5 mm-40 -88.6 -29.53 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 m -90.35 -26.05 5.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.16 -30.18 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.636 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.667 HG13 ' HG3' ' A' ' 55' ' ' LYS . 22.0 mm -77.58 -21.38 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.903 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -83.11 -16.65 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 3.6 mmp_? -80.1 -26.31 39.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.739 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 89' ' ' VAL . 6.5 mt -98.89 -42.23 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.71 88.25 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.0 mmt -83.08 -45.44 14.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.107 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.52 -19.4 64.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.14 53.59 4.12 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.095 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -109.2 6.14 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.787 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.02 -18.67 7.46 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.823 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -123.32 163.71 20.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 81' ' ' LEU . 41.4 t -94.03 134.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.527 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -92.63 149.33 21.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.65 -25.11 66.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.86 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.492 ' HA ' HG21 ' A' ' 95' ' ' VAL . 44.4 mt-10 -75.42 -50.43 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.42 -23.52 49.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.916 0.388 . . . . 0.0 111.056 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.25 -46.44 9.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.071 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 92' ' ' GLU . 6.9 m -55.73 -33.42 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -75.59 -46.49 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -19.94 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.708 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.925 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.805 0.336 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.95 -32.26 63.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -33.95 77.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.26 -53.26 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 37.2 mtp180 -64.74 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.522 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -38.62 -31.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.11 -79.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.463 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.8 m-85 -77.44 -31.04 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 91' ' ' PHE . 3.7 tppt? -55.37 -40.26 71.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.355 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 41' ' ' ALA . 30.7 m -71.86 -36.43 58.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.214 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.463 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.4 m-85 -59.73 -18.27 41.41 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.488 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.22 90.79 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.113 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -58.23 -34.86 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.51 -19.14 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.93 17.95 24.19 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.063 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -81.47 0.81 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.31 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.48 -15.89 62.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.2 m-85 -112.62 141.78 45.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.694 0.283 . . . . 0.0 110.657 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 23.5 mt -113.59 111.41 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.9 t -69.5 179.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.3 mppt? -65.67 -47.88 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.91 -35.86 71.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.91 -48.68 34.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -19.91 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.25 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 -24.31 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.522 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 m -81.76 -32.77 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.1 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.016 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mmm -64.14 -49.82 70.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.49 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -63.22 -26.71 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -55.73 -37.41 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.59 -16.25 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.55 19.18 7.13 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.346 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.5 96.43 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.06 110.66 4.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.95 129.8 3.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.476 2.118 . . . . 0.0 112.708 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.642 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 20.2 m120 -71.8 154.97 40.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.411 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.21 -17.46 41.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.87 -30.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.015 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.642 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.0 mm-40 -74.07 -49.26 24.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.685 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -54.74 -14.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.659 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.11 -37.1 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.331 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 31.7 m -84.57 -22.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.597 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -81.41 -30.21 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.651 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.565 HG13 ' HG3' ' A' ' 55' ' ' LYS . 19.7 mm -84.03 -20.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.971 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 5.2 pp0? -80.37 -12.9 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 90.7 mtt180 -76.23 -47.61 23.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.694 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 81' ' ' LEU . 6.8 mp -80.34 -41.86 24.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -65.63 86.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.0 mmt -70.89 -54.76 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.01 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.7 p-10 -68.45 -14.73 63.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.91 46.52 44.53 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.0 p-10 -92.97 8.31 40.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.052 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.64 -15.77 28.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.5 mt-30 -131.65 161.62 32.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.58 131.84 54.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.53 155.78 18.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 43' ' ' LYS . 36.6 t80 -48.14 -60.86 2.31 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.865 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.536 ' O ' HG13 ' A' ' 95' ' ' VAL . 43.2 mt-10 -44.43 -56.42 4.26 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.55 -32.44 28.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.341 . . . . 0.0 111.448 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -90.43 -19.79 23.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 92' ' ' GLU . 2.0 p -80.01 -28.73 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 111.566 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 m -82.43 -44.05 16.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.6 -26.31 68.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.552 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 HD12 HD12 ' A' ' 38' ' ' ILE . 3.8 tp . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.811 0.339 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.51 -36.33 82.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.366 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.45 -22.28 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.404 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.431 HD12 HD12 ' A' ' 35' ' ' LEU . 95.8 mt -61.49 -68.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.163 0.506 . . . . 0.0 111.264 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.7 ' HB2' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -63.71 -46.39 85.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.749 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.644 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 5.0 tm-20 -51.18 -20.7 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 111.154 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -80.04 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 6.0 m-85 -73.18 -19.13 61.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.7 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.04 -35.63 56.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.598 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 41' ' ' ALA . 17.1 m -68.04 -30.71 49.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 45.2 m-85 -65.57 -19.7 66.02 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.893 0.378 . . . . 0.0 110.188 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.74 92.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.258 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.92 -37.87 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.45 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.35 -19.64 53.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.36 23.18 40.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.677 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.57 HD21 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -76.19 -3.73 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.089 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' N ' HD21 ' A' ' 50' ' ' ASN . . . 97.65 -8.61 63.99 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.633 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' H ' HD21 ' A' ' 50' ' ' ASN . 4.4 m-85 -122.09 149.22 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.731 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.0 mt -113.05 128.34 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.469 ' HG ' ' H ' ' A' ' 55' ' ' LYS . 30.8 t -93.75 -178.09 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HB3' HD11 ' A' ' 74' ' ' LEU . 4.0 mppt? -63.58 -48.22 78.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -61.83 -31.04 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.703 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.54 -49.34 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.3 -22.01 64.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.69 71.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.492 HG22 ' HE ' ' A' ' 63' ' ' ARG . 27.2 m -86.55 -29.39 22.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.335 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.41 -50.29 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.1 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.428 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . 23.9 mmt -57.51 -48.88 78.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.849 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.492 ' HE ' HG22 ' A' ' 60' ' ' THR . 23.6 ptt180 -59.96 -23.69 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.805 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.9 t -79.89 13.08 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.19 -20.25 7.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.469 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.7 15.08 6.47 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.932 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.425 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 28.3 m-85 -131.07 114.85 15.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.677 0.275 . . . . 0.0 110.416 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.9 ptp -85.09 110.13 26.22 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.193 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HG3' ' HB2' ' A' ' 62' ' ' MET . 71.8 Cg_endo -90.08 133.94 2.07 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.61 2.207 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -83.85 175.16 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.57 -16.59 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.492 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -24.63 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.13 -50.31 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.756 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -55.34 -14.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.792 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -82.99 -35.76 25.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.485 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.63 -35.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.19 -29.19 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.228 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.626 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -67.72 -37.74 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.449 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -59.62 -39.82 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.282 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -50.88 -57.41 8.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -73.0 -48.5 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.34 77.82 2.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.9 mtm -65.82 -32.94 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.29 -20.7 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.18 28.47 73.71 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.8 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -86.54 -2.56 58.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 -12.15 67.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.764 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.13 151.32 52.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.948 0.404 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.02 129.57 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.334 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.283 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 14.7 t80 -46.26 -58.0 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.382 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 95' ' ' VAL . 43.0 mt-10 -48.8 -51.49 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -54.24 -27.34 34.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -83.27 -48.35 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -58.51 -27.42 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.9 m -74.07 -53.78 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.46 -18.8 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 111.288 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 38' ' ' ILE . 8.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.58 -37.1 84.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.974 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -29.61 69.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 98' ' ' LEU . 69.6 mt -64.53 -55.32 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.035 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -59.93 -68.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.41 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -69.08 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 112.117 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -74.95 -22.76 58.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.46 -40.65 93.45 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' ALA . 33.6 m -69.9 -34.22 59.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.441 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.2 m-85 -58.85 -18.22 30.78 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.368 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -78.32 95.31 5.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.684 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -55.46 -37.07 67.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.175 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.533 ' HB2' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -84.66 -20.58 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.619 0.247 . . . . 0.0 111.611 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.71 54.28 34.04 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.32 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.533 ' OD1' ' HB2' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -101.18 -3.24 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.61 -10.16 64.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.89 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -126.51 129.94 49.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.717 0.294 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 11.4 mt -99.13 129.46 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.428 . . . . 0.0 111.535 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 m -86.18 179.89 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.641 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -67.73 -48.9 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.716 0.293 . . . . 0.0 110.947 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.89 -42.39 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.58 -44.77 85.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -60.84 -21.61 63.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.93 -25.32 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.005 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.51 -21.9 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 0.0 110.35 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.42 -44.84 50.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.351 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.34 -49.43 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.887 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -53.68 -26.47 22.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.675 0.274 . . . . 0.0 111.267 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -62.11 -41.9 98.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.845 0.355 . . . . 0.0 110.652 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.32 -18.9 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.79 -0.85 17.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.44 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 60.7 m-85 -108.91 113.3 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -90.27 108.0 23.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.322 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 65.6 Cg_endo -89.9 152.63 4.94 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.529 HD21 ' H ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -99.97 -179.04 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.758 179.643 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.94 -22.33 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.529 ' H ' HD21 ' A' ' 70' ' ' ASN . 21.0 t -90.07 -23.79 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.616 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mm-40 -80.97 -50.49 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.66 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD13 ' HG3' ' A' ' 75' ' ' GLU . 2.1 pp -54.67 -13.79 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' HG3' HD13 ' A' ' 74' ' ' LEU . 46.6 mt-10 -85.92 -33.16 21.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.683 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.14 -23.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.6 mt -78.47 -31.99 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 111.313 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.641 HG13 ' HG3' ' A' ' 55' ' ' LYS . 10.0 mm -67.42 -51.35 53.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.759 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.84 -8.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -70.61 -34.51 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.688 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -107.64 -30.72 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 89' ' ' VAL . 28.6 t0 -72.06 84.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.375 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.74 -34.92 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.068 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.86 -26.15 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.82 29.48 67.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.823 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.45 16.03 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.08 -5.25 27.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.932 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -132.5 139.42 47.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 82' ' ' ASP . 52.8 t -97.76 126.31 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.27 153.95 20.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.944 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.67 -45.78 63.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.485 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.47 ' O ' HG13 ' A' ' 95' ' ' VAL . 46.6 mt-10 -52.6 -59.71 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.788 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.42 -34.85 26.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -86.46 -20.37 28.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.904 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -74.77 -29.63 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.427 -179.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.8 m -80.98 -42.18 21.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.67 -33.96 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 38' ' ' ILE . 4.5 pp . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.557 HD12 HD13 ' A' ' 38' ' ' ILE . 13.2 tp . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.879 0.371 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.82 -37.7 71.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.222 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.47 -40.84 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD13 HD12 ' A' ' 35' ' ' LEU . 81.4 mt -58.19 -53.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.03 -68.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.6 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -68.99 -80.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.49 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 25.0 m-85 -77.31 -20.91 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.5 tppt? -66.04 -40.53 91.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 41' ' ' ALA . 34.2 m -69.4 -34.64 63.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.764 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.49 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.6 m-85 -61.92 -18.21 59.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.303 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -78.24 100.55 6.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.126 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -67.12 -37.41 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.52 -19.19 56.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.91 24.97 29.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.019 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -79.95 -4.63 53.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.56 -19.28 45.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' HB3' ' HB2' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -116.81 137.92 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.68 0.276 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 10.8 mt -100.12 113.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.73 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 66.0 m -64.64 171.56 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.198 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.63 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.13 -47.55 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.351 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -63.02 -28.58 70.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.04 -50.96 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -19.53 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.6 -19.76 71.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.559 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.5 m -89.93 -23.41 21.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.233 0.539 . . . . 0.0 109.716 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.32 -39.55 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.023 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.0 mmm -68.54 -44.39 74.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.622 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -56.34 -29.26 61.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.884 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 t -60.57 -37.9 82.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.259 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.68 -21.06 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.805 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.85 21.2 4.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.465 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 90.0 m-85 -121.25 109.98 15.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.464 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -98.77 101.26 11.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.7 Cg_endo -88.11 143.28 5.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.774 2.316 . . . . 0.0 112.318 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 35.5 m-80 -83.7 -173.14 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.77 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.56 -33.37 74.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.46 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.14 -23.61 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.765 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -69.6 -51.1 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.734 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.9 pp -57.01 -13.83 3.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' HD11 ' A' ' 74' ' ' LEU . 44.2 mt-10 -83.34 -33.17 25.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.628 0.251 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -88.58 -24.33 6.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -81.01 -28.09 11.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 0.0 111.423 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.61 HG13 ' HG3' ' A' ' 55' ' ' LYS . 14.0 mm -82.97 -23.61 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.822 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.62 -21.91 54.87 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.021 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -66.82 -48.75 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.224 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' N ' HD13 ' A' ' 81' ' ' LEU . 6.5 mp -76.87 -38.76 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.0 80.47 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.845 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.1 mtp -80.57 -37.76 30.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.248 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -20.23 64.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.63 33.88 36.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -84.19 -2.53 57.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.098 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.73 ' NE2' ' HA ' ' A' ' 54' ' ' SER . 3.2 mm100 -122.75 165.93 15.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.793 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.1 117.4 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -86.55 152.22 22.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -46.12 -46.82 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -52.99 -53.83 44.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.815 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.34 -38.39 58.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.945 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -86.78 -19.54 28.91 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.86 -24.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.496 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -87.35 -38.33 16.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.25 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.65 -39.89 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.37 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.73 -26.81 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.13 -24.77 51.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.264 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.555 HG12 HD13 ' A' ' 98' ' ' LEU . 51.5 mt -67.37 -51.24 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 7.9 mtp180 -60.06 -67.97 0.34 Allowed 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.54 -31.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -65.57 -80.63 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.0 m-85 -78.81 -22.48 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -63.38 -35.82 81.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.053 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 41' ' ' ALA . 25.9 m -76.86 -33.59 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.101 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 22.1 m-85 -57.49 -18.0 16.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.884 0.373 . . . . 0.0 110.31 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.92 93.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.917 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -54.95 -50.14 69.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.312 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.08 -20.34 49.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 111.246 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.73 31.02 74.02 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.573 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -76.03 -0.88 23.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.11 0.455 . . . . 0.0 110.793 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 0.64 58.64 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.428 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.15 154.68 50.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 110.326 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 25.6 mt -116.69 101.2 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 32.9 t -66.45 -178.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.633 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.31 -47.63 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 111.214 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -59.31 -40.65 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.66 -49.02 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -19.57 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.239 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.79 -24.3 72.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.414 HG21 ' HD2' ' A' ' 63' ' ' ARG . 40.0 m -87.74 -20.57 26.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.04 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.26 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.124 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 94.7 mmm -69.64 -48.2 60.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.549 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HD2' HG21 ' A' ' 60' ' ' THR . 6.2 ptp180 -54.27 -32.51 56.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.049 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -56.8 -41.63 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.33 -18.7 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.53 24.94 3.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.452 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.53 99.72 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.11 109.3 29.87 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.22 146.63 11.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.615 2.21 . . . . 0.0 112.302 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 37.1 m-80 -83.74 176.03 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.15 -34.01 65.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -24.62 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.646 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 19.5 mm-40 -72.77 -51.91 17.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.405 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' A' ' 75' ' ' GLU . 3.1 pp -54.7 -14.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.788 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 74' ' ' LEU . 45.9 mt-10 -86.97 -39.15 15.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.585 0.231 . . . . 0.0 111.286 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 HD12 ' A' ' 77' ' ' ILE . 34.4 m -83.93 -28.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.71 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 76' ' ' VAL . 1.5 mp -70.02 -30.32 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.381 . . . . 0.0 110.667 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.633 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.4 mm -68.19 -54.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.868 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.99 -8.78 0.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 2.9 mmp_? -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.951 0.405 . . . . 0.0 110.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 HG13 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -114.05 -24.36 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.473 ' HB2' HG22 ' A' ' 89' ' ' VAL . 27.5 t70 -71.22 89.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.6 mmm -76.81 -31.87 57.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.95 -21.53 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.303 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.34 25.07 59.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.903 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -87.85 7.97 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.34 -12.56 58.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.718 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 41.8 mt-30 -132.24 142.33 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.542 HG13 HD13 ' A' ' 81' ' ' LEU . 45.4 t -94.77 130.16 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.67 150.01 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -43.34 -60.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.977 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.0 mt-10 -42.58 -47.88 5.28 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.0 -42.5 69.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -80.05 -42.42 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -54.46 -24.03 11.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.683 0.277 . . . . 0.0 111.542 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.0 m -84.48 -38.14 20.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.77 -36.67 26.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD13 HG12 ' A' ' 38' ' ' ILE . 2.5 pt? . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD13 HD11 ' A' ' 38' ' ' ILE . 13.5 tp . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.755 0.312 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 47.7 mt-10 -56.96 -31.73 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.702 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.44 -36.19 77.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.581 HD11 HD13 ' A' ' 35' ' ' LEU . 80.4 mt -65.72 -52.8 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -59.49 -66.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.317 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 44' ' ' VAL . 12.6 mm-40 -38.79 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.76 -82.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 4.9 m-85 -72.32 -24.35 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -65.15 -39.88 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.2 m -68.26 -34.62 67.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.816 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 54.2 m-85 -61.87 -17.96 58.39 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.203 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -78.12 99.49 6.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -60.68 -39.3 87.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.783 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.82 -19.24 55.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 13.2 18.22 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.79 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.01 1.31 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.41 -14.18 65.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.3 m-85 -112.22 146.22 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -115.76 104.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.255 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -60.79 175.98 0.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.62 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.66 -51.27 65.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.31 -33.24 67.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 -179.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.62 -46.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.163 0.506 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.49 -28.26 66.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 179.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.82 -16.89 68.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.1 m -85.08 -26.09 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.07 0.462 . . . . 0.0 110.13 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.35 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.937 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE1' HG22 ' A' ' 77' ' ' ILE . 26.4 mmt -64.48 -49.55 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.495 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -54.98 -30.56 59.52 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.732 0.301 . . . . 0.0 111.054 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -55.93 -37.77 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.58 -20.08 60.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.16 28.92 2.27 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.559 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.78 99.88 4.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 4.0 mpp? -76.72 110.25 11.15 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 1.0 OUTLIER -83.84 136.11 7.0 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.99 2.46 . . . . 0.0 112.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 78.0 m-20 -81.61 -174.62 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.922 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.14 -62.56 1.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.57 -19.43 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.95 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 16.7 mm-40 -73.47 -59.18 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.375 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.6 pp -55.97 -15.1 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.491 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -83.08 -38.95 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.657 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 73' ' ' GLU . 26.1 m -76.63 -24.94 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 111.597 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.506 HG22 ' HE1' ' A' ' 62' ' ' MET . 5.6 mt -81.32 -34.19 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.399 . . . . 0.0 111.29 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.593 HG13 ' HG3' ' A' ' 55' ' ' LYS . 9.2 mm -73.64 -27.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.075 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 10.7 pt20 -71.7 -12.88 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.93 -41.07 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.02 -49.79 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.816 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -67.7 88.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 92.8 mmm -70.46 -51.78 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.978 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.49 -22.98 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.488 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.16 44.5 9.69 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.37 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.61 12.37 19.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.747 0.308 . . . . 0.0 111.042 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.41 6.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.831 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 93.1 mt-30 -129.04 162.1 28.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.29 124.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -87.17 153.1 21.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.04 -53.26 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.486 ' O ' HG11 ' A' ' 95' ' ' VAL . 45.5 mt-10 -50.0 -58.94 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.83 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.19 -30.61 17.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.81 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -89.34 -21.5 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.486 HG11 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -70.52 -26.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.651 0.262 . . . . 0.0 111.501 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -90.08 -38.96 13.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.54 -28.49 45.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.406 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.421 HD11 HD13 ' A' ' 38' ' ' ILE . 4.3 pp . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD12 HD13 ' A' ' 38' ' ' ILE . 9.5 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.362 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.01 -35.26 79.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.86 -23.8 67.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 HD12 ' A' ' 35' ' ' LEU . 77.9 mt -67.81 -52.06 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.53 -70.51 0.18 Allowed 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.297 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.98 -30.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.451 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -65.11 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 35.4 m-85 -77.32 -21.79 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -63.16 -39.94 96.11 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 41' ' ' ALA . 22.1 m -72.29 -33.59 46.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.249 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 26.8 m-85 -61.65 -18.23 58.67 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.096 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.57 92.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.669 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -50.83 -40.21 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.071 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.65 -20.28 54.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.681 0.276 . . . . 0.0 111.605 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.02 13.6 20.47 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.98 -2.51 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.711 0.291 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -21.42 46.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.608 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -112.47 129.29 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 21.9 mt -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.394 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -103.73 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.106 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HB3' HD13 ' A' ' 74' ' ' LEU . 25.1 mtmm -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.5 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -75.16 -47.42 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.21 -19.65 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.16 -20.33 76.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.771 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.4 m -84.98 -27.43 26.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.125 0.488 . . . . 0.0 110.065 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.21 -44.44 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.256 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.86 -48.93 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.742 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.87 -32.2 63.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 111.089 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.9 t -56.5 -38.1 71.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.35 -19.96 48.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.845 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.54 18.98 5.13 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.482 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 81.1 m-85 -121.06 106.59 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.768 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.6 mtp -90.8 107.68 22.31 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.142 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 95.1 Cg_endo -86.16 136.7 5.0 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.573 2.182 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.457 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 39.0 m-80 -78.97 177.18 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.75 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 0.0 111.244 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.01 -20.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.39 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.1 mm-40 -75.26 -47.99 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.601 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.0 pp -61.36 -13.94 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.545 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' N ' HD11 ' A' ' 74' ' ' LEU . 46.4 mt-10 -83.63 -27.65 28.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.795 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' HA ' HE21 ' A' ' 79' ' ' GLN . 19.0 m -89.44 -19.5 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.7 mt -81.13 -46.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 55' ' ' LYS . 19.4 mm -67.09 -17.68 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' A' ' 76' ' ' VAL . 25.4 pt20 -84.72 -9.66 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 16.5 mmm180 -82.03 -31.12 31.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 81' ' ' LEU . 5.7 mp -99.71 -40.09 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.432 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.94 82.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.016 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 84' ' ' ASP . 24.9 ptt? -61.53 -47.96 83.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.651 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 83' ' ' MET . 11.2 p-10 -71.2 -28.1 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 111.302 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.21 45.69 8.7 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.416 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 5.3 p-10 -88.54 10.38 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 0.0 110.75 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.29 -13.5 33.08 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.415 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -133.89 154.75 50.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.6 t -97.71 128.53 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.03 149.94 23.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -48.72 -54.74 13.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.705 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.583 ' HA ' HG23 ' A' ' 95' ' ' VAL . 41.7 mt-10 -53.31 -53.09 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 111.583 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.98 -22.79 11.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.739 0.304 . . . . 0.0 111.252 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.2 -41.96 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 92' ' ' GLU . 32.8 m -58.14 -32.15 43.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.6 m -82.31 -45.51 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 111.684 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.24 -26.72 65.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.427 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.737 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.586 HD12 HD13 ' A' ' 38' ' ' ILE . 14.1 tp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -54.79 -37.27 65.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -55.02 -37.75 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.586 HD13 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -66.31 -56.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 6.3 mtp180 -59.77 -69.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.259 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -38.46 -30.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.26 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -66.6 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.4 m-85 -75.87 -27.68 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 41' ' ' ALA . 21.1 m -68.25 -33.78 62.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 24.8 m-85 -57.92 -18.14 21.22 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.459 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -68.91 92.27 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -55.4 -44.65 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.985 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.05 -15.57 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.436 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.72 24.74 54.23 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.809 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.18 -8.89 56.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.64 65.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.462 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.04 130.22 53.09 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.175 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 38.0 mt -93.26 105.78 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.837 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 71.6 m -65.23 177.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 74' ' ' LEU . 3.6 mppt? -65.05 -47.26 77.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.65 -34.67 76.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.46 -48.42 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.9 -19.5 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.75 -22.55 73.7 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.417 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 55.5 m -83.99 -27.71 28.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.096 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.29 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.181 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.5 ' HE1' HG23 ' A' ' 77' ' ' ILE . 23.8 mmt -69.31 -47.84 63.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.414 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 10.8 ptm180 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 t -53.73 -34.24 58.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -85.28 -18.75 32.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.42 20.9 4.55 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.732 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -122.0 104.45 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 88.8 mmm -80.24 111.14 19.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -87.16 129.77 2.86 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.551 2.167 . . . . 0.0 112.415 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -75.98 -177.86 4.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.21 -35.61 81.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.04 -25.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.412 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.84 -57.93 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.512 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.99 -14.31 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.564 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' HD13 ' A' ' 74' ' ' LEU . 22.8 mm-40 -83.13 -31.92 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.515 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.49 -23.71 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.5 HG23 ' HE1' ' A' ' 62' ' ' MET . 6.7 mt -81.13 -30.63 11.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.279 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.557 HG13 ' HG3' ' A' ' 55' ' ' LYS . 26.5 mm -85.24 -22.79 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.755 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -74.5 -16.86 60.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.1 -45.02 43.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.439 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.3 mp -80.23 -43.15 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.25 80.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.039 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.8 mtp -71.45 -48.62 48.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.704 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 16.7 p-10 -68.05 -20.85 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.522 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 37.7 30.5 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.326 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.9 p-10 -80.66 -19.84 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.13 -24.94 11.92 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 47.0 mt-30 -126.56 167.78 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.84 122.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.386 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -86.8 149.76 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -50.17 -50.34 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.3 mt-10 -54.23 -50.59 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.669 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.99 -25.63 63.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.872 0.368 . . . . 0.0 111.033 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 38.5 t80 -81.64 -51.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 92' ' ' GLU . 4.9 m -54.63 -36.79 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.481 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -61.05 -51.27 69.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.683 0.278 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 pp -77.4 -5.38 49.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 38' ' ' ILE . 2.9 tm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.972 0.415 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 43.9 mt-10 -70.46 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.343 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -85.67 -22.52 27.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.428 ' HB ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mt -59.51 -57.29 12.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 110.41 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 9.9 ptm180 -62.21 -44.5 96.43 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.642 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 23.0 mm-40 -38.78 -36.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 111.025 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -73.39 -73.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 13.4 m-85 -70.16 -44.96 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -49.49 -47.62 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -61.51 -35.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.582 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.7 m-85 -56.4 -18.98 12.75 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.708 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.18 110.31 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.966 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -74.05 -32.99 63.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.901 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.21 -13.35 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.18 18.53 20.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.957 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -75.37 -1.46 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.89 -8.06 80.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 13.4 m-85 -116.03 151.81 34.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.06 134.72 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -99.1 -178.26 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.611 ' HB3' HD12 ' A' ' 74' ' ' LEU . 43.9 mtmt -65.51 -47.12 77.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.077 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.42 -28.49 70.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.8 -54.6 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.97 -20.44 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.334 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.97 -20.52 72.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.705 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -90.22 -24.53 20.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.045 0.45 . . . . 0.0 110.312 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.03 -42.18 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 mmt -66.97 -45.85 76.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.574 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.17 -29.1 67.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.0 t -58.95 -38.13 78.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.02 -18.41 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.24 10.95 9.25 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.614 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.29 90.63 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.96 112.15 16.6 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.6 138.67 5.42 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.587 2.191 . . . . 0.0 112.201 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -72.96 170.47 14.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.39 -14.12 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.07 0.462 . . . . 0.0 110.05 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.64 -27.49 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.671 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.13 -54.15 7.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.909 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' A' ' 55' ' ' LYS . 1.1 pp -52.69 -19.11 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' HG3' HD13 ' A' ' 74' ' ' LEU . 47.6 mt-10 -78.54 -35.68 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.356 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.428 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 32.7 m -87.23 -20.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.58 -43.12 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.741 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.0 mm -66.43 -23.94 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.85 -10.88 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.889 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.63 -29.58 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.31 -45.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.68 84.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtt -71.15 -32.7 69.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.69 -23.6 64.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.25 35.69 77.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.67 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.23 16.79 20.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.44 1.91 53.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.432 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.0 mt-30 -141.45 150.08 41.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.0 131.08 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.32 157.25 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' O ' HG11 ' A' ' 95' ' ' VAL . 33.5 t80 -51.12 -54.06 28.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.608 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 95' ' ' VAL . 47.3 mt-10 -47.51 -59.46 3.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.767 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.45 -25.34 3.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.756 0.312 . . . . 0.0 111.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -90.37 -25.49 20.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 92' ' ' GLU . 2.7 m -72.67 -33.82 45.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.719 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.4 m -79.56 -48.2 14.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.638 0.256 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.86 -23.18 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 179.853 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.958 0.409 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.41 -28.93 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.21 -23.0 61.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.57 -52.36 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mpt_? -61.75 -68.48 0.32 Allowed 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.64 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.05 -78.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.467 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -75.62 -19.67 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -67.21 -40.08 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.567 0.222 . . . . 0.0 111.225 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -71.61 -36.72 60.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 29.0 m-85 -58.91 -18.17 30.92 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.584 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -74.43 100.37 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -67.03 -37.98 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.834 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.85 -16.31 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 111.349 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.52 20.52 24.0 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.146 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -2.89 40.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.36 -20.67 49.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.774 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.83 131.48 55.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 6.7 mt -95.71 112.78 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.441 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.452 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 58.3 m -72.88 -179.15 3.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.8 mppt? -65.18 -50.58 65.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.75 -34.31 69.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -47.48 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.586 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -59.93 -27.41 66.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.121 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.0 -19.96 61.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.5 m -84.32 -31.67 24.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.066 0.46 . . . . 0.0 110.191 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.39 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.138 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.28 -52.58 64.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -58.83 -29.13 66.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.292 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.769 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.47 -18.06 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.74 14.41 7.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.88 90.68 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.657 0.265 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -71.89 111.99 12.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -87.7 135.33 3.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.619 2.213 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 36.9 m-80 -75.48 175.69 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.59 -29.35 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.34 -23.97 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.8 mm-40 -70.79 -53.88 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.8 -14.24 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.513 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' A' ' 74' ' ' LEU . 43.2 mm-40 -85.45 -33.85 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.144 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -86.95 -26.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.577 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.7 mt -80.91 -25.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.564 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.0 mm -84.64 -24.93 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.664 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -77.76 -17.31 57.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.816 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -74.64 -43.54 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.91 -39.52 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.625 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.46 83.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.753 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.3 mtt -77.79 -46.36 21.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.664 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 12.3 p-10 -68.65 -20.93 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.01 42.19 16.63 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.427 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.42 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.7 p-10 -90.59 -8.97 48.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.87 0.335 . . . . 0.0 111.176 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.14 -27.79 18.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 48.4 mt-30 -122.48 161.31 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.32 128.31 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.426 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.48 151.35 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -49.38 -54.65 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.575 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 95' ' ' VAL . 42.4 mt-10 -47.58 -59.9 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.68 -33.05 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -88.53 -24.16 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -70.43 -28.93 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.502 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.1 m -84.89 -41.05 16.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.83 -30.2 32.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.484 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.789 0.328 . . . . 0.0 111.018 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -27.98 63.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 110.754 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.85 -33.52 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -62.1 -48.93 86.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.559 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 39.8 mtp180 -63.25 -61.9 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -39.21 -29.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -70.93 -81.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.534 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 11.0 m-85 -74.58 -27.18 60.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 2.8 tppt? -64.18 -39.79 94.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' ALA . 32.9 m -68.74 -33.34 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.4 m-85 -58.96 -18.15 31.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.17 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -77.78 94.15 4.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.899 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -55.83 -35.97 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.59 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.06 -20.11 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.7 19.24 19.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.768 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -72.79 -2.04 18.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.41 -6.17 65.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.661 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -126.1 144.17 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.505 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.7 mt -108.0 124.02 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.247 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -85.55 179.23 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HG3' HG13 ' A' ' 78' ' ' ILE . 4.0 mppt? -63.94 -50.42 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.329 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -58.25 -37.22 74.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -74.14 -45.98 45.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.917 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 58' ' ' LEU . 2.6 tm? -59.84 -26.19 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.02 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.57 -18.65 63.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.737 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 36.3 m -90.31 -22.23 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.27 34.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.962 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.442 ' HG2' HD11 ' A' ' 58' ' ' LEU . 93.8 mmm -64.48 -42.17 96.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.625 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' LEU . 4.4 ptm180 -59.33 -23.27 62.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.87 0.367 . . . . 0.0 110.6 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.4 t -75.45 10.34 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.691 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' ARG . 25.8 mt -120.23 -20.66 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 18.77 5.01 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.073 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 115.75 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.572 0.225 . . . . 0.0 110.554 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -100.34 100.58 12.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.367 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.5 150.44 24.92 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.426 2.084 . . . . 0.0 112.209 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 24.3 p30 -98.8 -169.83 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.286 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.89 -44.36 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.32 -19.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 70' ' ' ASN . 12.9 mm-40 -72.98 -56.58 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 74' ' ' LEU . 43.9 mt-10 -81.72 -36.84 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.563 0.22 . . . . 0.0 111.58 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 31.1 m -83.32 -25.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 111.748 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -80.92 -28.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.429 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.607 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.9 mm -83.98 -25.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.929 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.2 pt20 -76.12 -9.44 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -76.03 -49.99 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.831 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 81' ' ' LEU . 7.0 mp -81.72 -40.97 21.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.65 81.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 17.5 ptp -77.23 -41.81 39.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.718 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.59 -22.61 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.002 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.39 37.86 40.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.607 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.982 0.391 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.2 -21.21 20.33 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.82 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -127.05 155.53 43.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.25 122.88 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.46 150.13 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -46.68 -53.15 12.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.835 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 95' ' ' VAL . 40.9 mt-10 -49.76 -54.73 17.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.911 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.61 -36.27 45.11 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -88.77 -18.45 27.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -76.61 -26.68 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.103 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.9 m -83.84 -42.67 16.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.91 -14.4 63.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 HD12 ' A' ' 38' ' ' ILE . 59.6 tp . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.902 0.382 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.95 -33.37 68.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.393 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.23 -31.31 72.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.611 HD12 HD12 ' A' ' 35' ' ' LEU . 18.6 mt -68.52 -46.59 79.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -69.79 -70.38 0.29 Allowed 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -39.2 -31.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.715 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.18 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.7 m-85 -78.06 -26.7 48.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 2.9 tppt? -61.46 -39.07 89.54 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.392 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 41' ' ' ALA . 18.3 m -71.78 -34.63 52.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.991 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 21.2 m-85 -56.28 -18.4 10.49 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.474 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.93 92.6 0.1 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.853 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.86 -45.3 74.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.02 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.56 -20.1 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.527 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.7 19.68 58.6 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.141 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.86 -7.01 18.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.939 0.399 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.72 -10.43 59.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -125.67 145.6 50.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.141 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.2 mt -104.07 116.12 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 111.226 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.487 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 41.1 t -79.9 179.48 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.473 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.9 mppt? -61.32 -59.59 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.84 56.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.696 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.55 -47.74 45.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.586 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HB2' HD13 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -59.69 -25.3 64.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.775 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.99 -21.75 73.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.88 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.0 m -80.77 -27.09 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -51.57 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.143 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.68 -53.26 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.814 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -53.86 -34.89 60.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.389 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -54.47 -36.84 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.687 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -81.61 -18.43 44.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.74 21.74 4.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.429 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 68.4 m-85 -127.78 102.91 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.692 0.282 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.32 109.51 23.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.137 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -89.33 143.02 4.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.662 2.241 . . . . 0.0 112.298 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -91.96 179.55 5.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.4 pt-20 -58.9 -23.2 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.02 -21.72 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -88.18 -54.76 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -54.44 -15.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.576 0.227 . . . . 0.0 111.595 -178.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' N ' HD21 ' A' ' 74' ' ' LEU . 38.5 mt-10 -80.75 -47.35 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.476 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 32.1 m -69.89 -21.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.67 -27.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG13 ' HA ' ' A' ' 55' ' ' LYS . 10.2 mm -81.6 -25.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.641 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.414 HE21 ' HA ' ' A' ' 76' ' ' VAL . 28.7 pt20 -80.58 -9.7 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.454 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.509 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 1.3 mmp_? -79.4 -32.61 42.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 89' ' ' VAL . 6.2 mt -99.01 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.54 82.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.921 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 mtp -76.04 -40.29 53.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.541 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -69.07 -24.6 64.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.735 0.302 . . . . 0.0 111.518 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.28 46.04 6.72 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.536 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.9 9.62 43.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.0 110.694 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.32 -16.6 7.34 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -129.09 161.61 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 81' ' ' LEU . 47.5 t -92.7 126.26 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.14 149.87 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.434 ' HD1' ' HZ3' ' A' ' 43' ' ' LYS . 23.2 t80 -49.15 -56.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.739 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.593 ' HA ' HG23 ' A' ' 95' ' ' VAL . 44.6 mt-10 -52.22 -55.63 19.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 111.887 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.4 -24.61 12.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.56 -34.93 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.593 HG23 ' HA ' ' A' ' 92' ' ' GLU . 33.4 m -65.5 -31.62 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.413 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 m -76.56 -46.55 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.334 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.02 -14.96 58.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.3 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 98' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.026 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 HD12 ' A' ' 38' ' ' ILE . 5.7 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.891 0.377 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.584 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.02 -37.59 85.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.537 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.4 -29.66 70.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.421 HD12 HD12 ' A' ' 35' ' ' LEU . 19.0 mt -64.7 -39.93 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.007 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 24.8 mtp180 -63.55 -69.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -38.97 -31.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.01 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.52 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 45.8 m-85 -76.47 -25.87 54.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' A' ' 91' ' ' PHE . 2.4 tppt? -61.52 -36.73 81.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.463 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 41' ' ' ALA . 26.9 m -74.44 -34.25 35.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.075 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 37.3 m-85 -61.52 -18.02 57.33 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.158 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.97 87.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.825 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.72 -36.24 62.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.871 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -78.33 -20.34 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.305 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.14 16.56 19.82 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.782 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.493 HD21 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -73.0 -0.84 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.668 0.271 . . . . 0.0 111.269 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 -17.58 58.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.652 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.493 ' H ' HD21 ' A' ' 50' ' ' ASN . 3.1 m-85 -114.36 150.7 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.4 mt -118.7 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.395 . . . . 0.0 111.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -82.3 -179.19 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.595 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 3.8 mppt? -65.42 -49.57 68.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.36 -45.25 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -27.47 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.077 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.42 -20.77 67.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.5 m -86.33 -25.07 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -47.89 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.426 ' HE1' HG21 ' A' ' 77' ' ' ILE . 25.9 mmt -62.67 -51.02 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.699 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -53.68 -33.15 54.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 111.077 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -58.47 -41.03 84.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.28 -19.27 58.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.04 16.41 5.78 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.42 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.453 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 84.3 m-85 -121.3 100.63 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.598 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -85.79 108.68 17.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -88.74 136.78 3.21 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.93 175.32 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.689 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.62 -26.11 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -89.81 -23.53 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -74.8 -55.02 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.519 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 55' ' ' LYS . 2.4 pp -53.27 -16.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.687 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 74' ' ' LEU . 17.1 mm-40 -78.01 -37.37 47.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.555 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG22 HD13 ' A' ' 77' ' ' ILE . 18.0 m -90.23 -38.34 10.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.426 HG21 ' HE1' ' A' ' 62' ' ' MET . 1.8 mp -58.22 -38.33 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.493 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -69.19 -30.4 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.778 -179.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 77.5 mt-30 -71.42 -12.94 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.568 0.223 . . . . 0.0 111.497 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.82 -31.91 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.27 -37.06 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.227 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.11 87.88 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.404 ' HE1' HD13 ' A' ' 97' ' ' LEU . 25.3 mmt -65.94 -59.88 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -68.6 -21.86 64.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.428 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.24 44.43 13.54 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.491 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.13 12.99 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 110.535 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.8 -16.14 16.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.375 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 52' ' ' PHE . 40.8 mt-30 -128.86 160.23 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.667 0.27 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.04 129.47 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.294 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -87.95 154.44 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.484 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 34.1 t80 -50.27 -57.12 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.802 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.4 mt-10 -45.48 -58.47 3.35 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.17 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.87 -28.52 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -88.37 -24.77 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 92' ' ' GLU . 1.8 m -69.48 -30.97 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.654 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 m -81.14 -46.05 15.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.652 0.263 . . . . 0.0 111.502 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 HD13 ' HE1' ' A' ' 83' ' ' MET . 90.7 mt -62.65 -22.26 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.732 179.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 HD13 ' A' ' 38' ' ' ILE . 5.4 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.31 -29.0 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.34 -32.61 72.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.418 HD13 HD12 ' A' ' 35' ' ' LEU . 10.5 mt -66.74 -58.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.283 0.563 . . . . 0.0 110.767 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -60.99 -61.87 2.27 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.45 -33.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 111.559 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -66.45 -82.71 0.03 OUTLIER 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 42.2 m-85 -78.43 -25.89 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -61.78 -39.25 91.01 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.063 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 41' ' ' ALA . 28.4 m -69.89 -34.96 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 C-N-CA 120.194 -0.603 . . . . 0.0 110.899 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.5 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 30.3 m-85 -58.52 -17.99 25.72 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.447 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.21 88.68 1.15 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.769 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -53.88 -42.67 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.63 -19.27 53.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.225 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.24 25.99 60.88 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.29 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -74.01 -10.05 59.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.867 0.334 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.93 -20.56 31.12 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.638 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.51 140.62 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.267 . . . . 0.0 110.421 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 28.2 mt -99.89 113.35 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.264 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 33.5 t -71.13 177.92 3.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.655 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.8 mppt? -62.05 -57.16 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.516 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.32 -31.67 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.729 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.67 -48.65 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.783 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.74 -21.62 64.68 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.17 -22.66 70.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.849 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.526 HG23 HH21 ' A' ' 63' ' ' ARG . 85.0 m -81.38 -32.08 33.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.2 0.524 . . . . 0.0 109.739 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.35 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.244 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.6 -51.44 59.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.833 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.526 HH21 HG23 ' A' ' 60' ' ' THR . 40.5 ptt180 -55.83 -31.58 62.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.727 0.298 . . . . 0.0 110.992 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 t -55.03 -34.8 63.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.65 -19.32 52.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.87 13.16 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.439 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 76.0 m-85 -117.98 103.62 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.638 0.256 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.5 mtt -87.52 108.9 22.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 69.8 Cg_endo -89.62 144.6 4.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.56 171.94 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.401 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HA ' HD22 ' A' ' 74' ' ' LEU . 10.1 pt-20 -61.22 -19.67 61.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -19.67 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.22 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.2 mm-40 -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.298 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.1 pt? -56.38 -14.43 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 111.388 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' N ' HD21 ' A' ' 74' ' ' LEU . 46.0 mt-10 -84.92 -33.92 22.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.275 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.3 m -84.09 -20.6 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.788 0.328 . . . . 0.0 111.57 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 74' ' ' LEU . 7.3 mt -80.71 -25.92 11.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.598 HG13 ' HG3' ' A' ' 55' ' ' LYS . 15.8 mm -74.92 -29.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.815 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -78.46 -9.18 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.576 0.227 . . . . 0.0 111.41 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -79.34 -34.05 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.43 -36.46 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -73.31 87.64 1.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -54.59 -55.94 24.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.3 p-10 -68.81 -21.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.59 48.4 43.67 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.408 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 4.9 p-10 -87.69 13.16 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 110.782 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.96 -14.47 32.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 45.7 mt-30 -132.86 139.16 47.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.92 129.52 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -91.35 150.24 21.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.241 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.81 -56.57 11.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.831 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.536 ' O ' HG12 ' A' ' 95' ' ' VAL . 44.5 mt-10 -45.82 -56.21 5.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.998 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -48.45 -35.27 12.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.673 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -90.43 -20.47 22.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.91 -28.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.237 -179.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 m -83.21 -44.35 15.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.35 -15.53 60.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.887 179.897 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 38' ' ' ILE . 18.7 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.37 -33.07 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.68 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -72.71 -35.22 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.625 HD11 HD12 ' A' ' 35' ' ' LEU . 64.1 mt -61.06 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -68.27 -70.42 0.26 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -39.1 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -66.05 -79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.522 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 28.0 m-85 -78.31 -27.44 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -58.24 -39.62 79.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 41' ' ' ALA . 32.7 m -71.56 -36.42 60.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.914 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 36.4 m-85 -59.72 -18.14 40.34 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.344 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -70.44 89.37 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -51.75 -41.48 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.683 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.06 -20.23 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.45 17.59 33.38 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.059 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -77.59 6.35 7.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 0.0 111.044 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.47 -13.94 65.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.27 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -116.72 138.7 51.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 31.0 mt -106.67 118.33 54.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -74.87 -179.86 4.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.605 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.619 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.4 mppt? -66.43 -49.04 68.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.94 -37.61 74.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -73.47 -46.26 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.434 ' HG ' HD12 ' A' ' 78' ' ' ILE . 1.4 tm? -60.78 -24.61 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.258 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.97 -19.34 69.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.845 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.412 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 60.8 m -86.48 -28.93 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.04 0.448 . . . . 0.0 110.378 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -43.01 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.316 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 97.4 mmm -67.59 -50.02 60.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 16.3 ptm180 -60.63 -27.87 68.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.108 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.5 t -55.94 -37.61 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.14 -12.34 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.22 16.58 8.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -126.22 93.17 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.408 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -84.1 112.27 39.68 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.24 -179.703 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 5.5 Cg_endo -85.53 151.44 10.31 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.889 2.392 . . . . 0.0 112.106 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -83.84 169.48 15.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 -28.81 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.32 -19.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.554 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' O ' HG21 ' A' ' 76' ' ' VAL . 15.8 mm-40 -84.15 -48.74 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.452 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.7 pp -55.61 -14.32 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.39 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HG3' HD11 ' A' ' 74' ' ' LEU . 47.1 mt-10 -85.77 -38.85 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 73' ' ' GLU . 33.6 m -77.07 -27.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.701 0.286 . . . . 0.0 111.651 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.0 -27.44 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.207 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 55' ' ' LYS . 8.1 mm -82.07 -22.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.871 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.42 -14.04 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -79.61 -31.61 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 81' ' ' LEU . 7.1 mp -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -70.41 81.68 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.0 mtm -73.08 -43.85 61.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.928 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.18 -21.24 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.11 37.89 27.61 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 113.26 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.2 6.72 45.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.833 0.317 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.68 -18.37 15.71 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -124.73 165.68 17.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 111.008 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.2 t -107.5 129.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -91.63 150.76 21.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -48.82 -51.55 28.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.491 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.594 ' HA ' HG21 ' A' ' 95' ' ' VAL . 42.7 mt-10 -52.72 -53.59 45.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.266 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.96 -22.35 37.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -90.47 -30.04 17.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.594 HG21 ' HA ' ' A' ' 92' ' ' GLU . 33.3 m -74.11 -32.83 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.4 m -76.82 -47.78 20.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.669 0.271 . . . . 0.0 111.499 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.21 -23.34 67.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.38 0.133 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -77.4 145.92 24.22 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.512 2.142 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -68.34 -5.65 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -64.23 128.14 92.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.542 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.64 126.66 11.0 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.323 2.015 . . . . 0.0 112.539 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.8 t 62.94 113.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.476 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -123.45 -68.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.96 118.27 0.32 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.85 -29.39 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HB3' ' H ' ' A' ' 11' ' ' MET . 3.1 mm? -87.87 -156.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.43 ' H ' ' HB3' ' A' ' 10' ' ' LEU . 59.7 mtt 66.44 106.6 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -88.91 -52.54 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -166.72 -58.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.48 80.95 0.74 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.695 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -169.13 143.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.661 0.267 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.05 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.405 ' H ' ' H ' ' A' ' 18' ' ' VAL . 9.9 t -171.41 -3.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' HB ' HD11 ' A' ' 21' ' ' LEU . 18.6 m -83.69 124.97 74.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.289 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -90.11 -60.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.767 2.311 . . . . 0.0 113.021 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -141.86 59.21 1.48 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD11 ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -89.16 -5.75 57.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.21 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.563 ' H ' HD21 ' A' ' 22' ' ' LEU . 2.7 pt? -95.92 -3.76 44.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -106.72 -60.75 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.181 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -130.37 -29.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' LEU . 28.8 tt0 60.2 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.092 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -72.56 130.86 85.13 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 149.53 25.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.5 2.134 . . . . 0.0 112.292 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 t -111.7 111.91 38.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -175.01 119.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mm -62.51 127.73 90.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 33' ' ' ASP . 38.4 Cg_endo -66.29 151.7 82.77 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.52 2.146 . . . . 0.0 112.085 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -48.89 -11.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.762 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 31' ' ' PRO . 4.5 m-20 -55.7 -24.35 33.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.598 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -25.04 20.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp -68.44 -39.85 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.086 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.01 -19.45 61.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.166 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.54 -27.84 56.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.05 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.41 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.404 ' O ' HG21 ' A' ' 44' ' ' VAL . 41.8 tt0 -38.76 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -70.92 -82.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -73.77 -20.31 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tppt? -69.23 -40.85 77.68 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.452 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 41' ' ' ALA . 35.9 m -66.8 -34.23 68.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.041 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 39.6 m-85 -60.69 -18.24 52.82 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -72.96 96.16 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -60.81 -36.54 79.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.686 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.09 -20.46 52.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.467 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 14.94 16.52 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.788 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.26 -2.9 17.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.5 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.555 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -123.2 150.96 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.738 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 27.2 mt -113.92 121.21 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -85.71 178.2 7.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 22.7 mtmm -60.61 -58.7 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.514 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -52.22 -31.24 31.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.42 -47.5 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.2 tm? -60.46 -28.88 68.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.2 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.36 -20.27 65.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.906 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.48 -22.33 24.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.165 0.507 . . . . 0.0 110.178 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.39 -49.72 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.218 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.5 mtp -59.78 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.609 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -53.9 -32.65 54.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.108 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -58.96 -40.76 85.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.583 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.12 -20.31 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 17.82 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 17.1 m-85 -126.0 92.03 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.508 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -82.51 110.84 24.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.222 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.3 Cg_endo -89.99 148.33 4.73 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.661 2.241 . . . . 0.0 112.444 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -84.35 169.87 14.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HA ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -62.49 -14.95 47.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.135 179.157 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.78 -26.56 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.669 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 76' ' ' VAL . 9.4 mm-40 -90.02 -47.54 7.77 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.574 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -54.4 -14.54 1.26 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.704 0.287 . . . . 0.0 111.426 -178.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' N ' HD21 ' A' ' 74' ' ' LEU . 47.2 mt-10 -80.7 -38.22 29.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.399 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.432 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 16.9 m -82.12 -19.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.723 0.297 . . . . 0.0 111.714 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.94 -33.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.564 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.473 HG13 ' HA ' ' A' ' 55' ' ' LYS . 7.7 mm -71.89 -28.81 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.77 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 11.0 pt20 -76.37 -9.7 58.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.744 0.307 . . . . 0.0 110.905 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -79.08 -33.22 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -94.28 -39.99 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.048 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.18 84.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.3 ptp -77.43 -37.99 50.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.634 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.18 -26.01 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.579 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.2 58.64 2.42 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.239 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -112.38 5.06 17.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.691 0.282 . . . . 0.0 111.101 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.51 -18.82 16.99 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.605 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.29 165.58 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 36.3 t -102.74 132.25 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -93.33 153.19 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.62 -58.38 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.538 ' O ' HG11 ' A' ' 95' ' ' VAL . 43.9 mt-10 -46.09 -59.35 2.93 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -46.44 -40.95 13.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.866 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 79.3 t80 -84.82 -21.29 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -77.49 -30.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.426 -179.206 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.6 m -75.0 -47.09 30.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.292 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.11 -14.35 62.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -83.63 -15.2 49.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.18 -177.42 15.36 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 122.551 2.168 . . . . 0.0 112.266 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.535 0.207 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.49 132.01 27.93 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.7 -12.08 54.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -96.38 119.92 63.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.78 135.26 40.81 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.425 2.083 . . . . 0.0 111.918 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.3 p -77.47 117.43 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 t -175.25 127.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.04 113.41 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.44 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.32 96.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 ptp -53.66 133.52 41.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -76.92 -32.63 57.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -166.47 117.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.53 39.67 0.84 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.634 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tp -118.08 136.55 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -60.24 115.5 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 56.4 m -124.98 98.66 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HB ' HD11 ' A' ' 21' ' ' LEU . 12.3 m -81.08 110.69 18.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.255 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 17' ' ' THR . 93.0 Cg_endo -82.19 -51.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.421 2.081 . . . . 0.0 112.843 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.02 81.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 HD11 ' HB ' ' A' ' 18' ' ' VAL . 6.4 mp -117.83 31.75 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' H ' HD21 ' A' ' 22' ' ' LEU . 1.6 pt? -107.92 6.23 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.2 p -108.37 -34.75 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -82.15 -23.62 35.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.51 164.83 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -83.41 149.27 57.6 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.092 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.76 19.49 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.685 2.257 . . . . 0.0 112.813 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.95 158.57 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.269 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -179.19 158.02 0.86 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.001 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.9 mm -71.45 131.47 86.46 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.969 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.439 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 Cg_endo -66.96 150.31 82.89 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.147 1.898 . . . . 0.0 112.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.49 -45.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -45.51 -70.32 0.11 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' HG2' ' HG2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -69.29 -23.77 63.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.327 . . . . 0.0 111.089 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.46 -34.01 76.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.0 -25.25 67.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 110.675 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.41 -27.43 60.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.98 -52.23 51.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 10.4 mtp180 -64.51 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.31 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -38.38 -31.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -67.91 -83.68 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.523 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 23.9 m-85 -75.05 -19.5 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.0 tppt? -67.43 -38.67 84.91 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -70.18 -34.63 59.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.032 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.0 m-85 -60.82 -18.06 53.37 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.007 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.31 90.1 4.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.609 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -55.3 -34.84 64.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.288 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.46 -19.99 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.364 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.01 12.32 22.04 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.052 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.479 HD22 HE22 ' A' ' 88' ' ' GLN . 17.9 p-10 -67.77 -4.72 13.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.689 0.281 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.93 -19.83 52.66 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.216 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.64 129.71 56.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.68 0.276 . . . . 0.0 110.5 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.8 mt -92.87 134.38 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 111.454 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.8 m -91.83 176.14 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.272 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.602 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.59 -50.23 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 111.034 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.494 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.59 -38.33 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -43.83 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.73 -26.23 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.866 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.51 -18.2 69.57 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.827 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.418 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 37.9 m -87.63 -24.57 23.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.21 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.3 -46.51 55.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.953 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.6 mmm -61.66 -49.42 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 11.5 ptp180 -57.5 -29.69 64.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.05 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 t -57.79 -37.33 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -76.51 -16.38 59.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.64 11.01 8.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.615 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 27.5 m-85 -122.98 94.42 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.664 0.269 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.1 ptm -78.11 111.57 19.33 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.563 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -90.2 144.6 4.14 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.829 2.352 . . . . 0.0 112.171 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.526 ' ND2' ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -86.56 179.28 6.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.76 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.23 -19.95 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.349 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' H ' HD21 ' A' ' 70' ' ' ASN . 39.0 t -90.33 -30.57 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.672 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 28.0 mm-40 -72.61 -52.81 13.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.695 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.514 HD12 ' HG2' ' A' ' 75' ' ' GLU . 2.8 pp -54.16 -16.9 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HG2' HD12 ' A' ' 74' ' ' LEU . 31.8 mm-40 -82.71 -32.84 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.1 -22.8 6.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -80.89 -24.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 111.592 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.565 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.1 mm -79.56 -35.25 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -62.56 -27.43 69.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.526 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' HB2' HD23 ' A' ' 81' ' ' LEU . 2.9 mmp_? -60.0 -38.92 84.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.352 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 81' ' ' LEU . 2.3 mm? -91.18 -45.63 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.195 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.402 ' OD2' ' HA2' ' A' ' 85' ' ' GLY . 33.1 t70 -68.65 83.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.1 ptp -84.03 -44.28 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.005 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -68.45 -20.69 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' HA2' ' OD2' ' A' ' 82' ' ' ASP . . . 82.18 57.43 2.65 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.021 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -108.22 4.74 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.11 2.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.479 HE22 HD22 ' A' ' 50' ' ' ASN . 52.5 mt-30 -130.78 150.06 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.667 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.99 120.72 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -83.71 157.49 22.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.43 -59.78 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.749 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.475 ' O ' HG11 ' A' ' 95' ' ' VAL . 45.6 mt-10 -50.07 -55.93 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.723 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -46.21 -37.59 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -91.04 -23.73 20.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.475 HG11 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -75.7 -26.97 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.5 m -87.55 -47.67 8.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.721 0.295 . . . . 0.0 111.377 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.96 -20.62 58.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt -100.86 -16.88 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.8 -161.58 12.08 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.492 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.249 1.026 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.31 112.28 3.29 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.528 2.152 . . . . 0.0 112.275 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -69.14 -26.23 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -91.49 148.29 37.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.002 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.66 130.91 31.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.58 2.187 . . . . 0.0 112.15 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.66 -71.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.345 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.2 m -103.16 131.0 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.06 -176.24 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.39 -41.03 49.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 111.046 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 179.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.6 mtp 57.17 58.56 3.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.64 -26.69 65.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 170.61 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.973 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 28.63 18.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.657 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.9 tp -139.41 142.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -71.77 100.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -89.18 98.55 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.499 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.6 m -81.05 119.72 76.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.345 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -39.9 -30.47 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.228 2.618 . . . . 0.0 113.107 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -94.03 47.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.121 0.486 . . . . 0.0 110.175 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -81.71 25.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.582 -179.477 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.625 ' H ' HD22 ' A' ' 22' ' ' LEU . 2.0 pt? -110.45 -1.76 16.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.016 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.0 p -96.15 -17.32 20.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.78 -30.78 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -103.04 123.7 47.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.28 143.22 97.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 86.32 1.28 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.296 1.997 . . . . 0.0 112.181 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.64 167.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.488 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -172.95 156.17 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.0 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.72 136.08 78.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.47 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.83 148.91 43.91 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.514 2.143 . . . . 0.0 112.619 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -44.76 -25.25 0.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -47.78 -46.61 30.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.742 0.306 . . . . 0.0 111.266 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.99 -20.54 48.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.641 HD11 HD11 ' A' ' 38' ' ' ILE . 15.6 tp -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.684 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.96 -34.33 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.27 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 35' ' ' LEU . 22.8 mt -68.65 -44.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 12.8 mtp180 -69.09 -68.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.371 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -38.96 -31.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -66.95 -81.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.538 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 5.3 m-85 -74.05 -30.25 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tppt? -58.22 -39.38 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 41' ' ' ALA . 32.6 m -71.96 -34.63 51.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.538 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 40.8 m-85 -60.57 -17.88 49.08 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -76.54 97.4 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -54.71 -39.85 68.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.945 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.41 -19.4 53.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.77 15.51 27.21 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.802 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -74.59 4.0 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 111.24 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.16 -16.4 58.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -112.9 136.11 52.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.435 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.3 mt -108.4 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.582 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -66.09 -178.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.487 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.638 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.6 mppt? -64.58 -55.61 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -51.55 -42.52 61.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.578 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.57 -45.74 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.053 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.487 HD12 ' HE2' ' A' ' 62' ' ' MET . 0.9 OUTLIER -62.13 -26.92 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.008 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.56 -21.7 67.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.02 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.7 m -88.54 -21.77 23.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -46.91 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.084 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.487 ' HE2' HD12 ' A' ' 58' ' ' LEU . 25.5 mmt -63.63 -49.81 71.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.538 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -32.06 63.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.9 t -55.85 -36.5 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.12 -17.11 51.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.88 19.06 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 54.9 m-85 -126.39 90.88 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.2 ptm -85.99 109.93 26.6 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 73.3 Cg_endo -88.65 151.66 6.23 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.751 2.3 . . . . 0.0 112.265 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -85.94 171.69 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.687 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.1 pt-20 -60.04 -23.82 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -91.23 -19.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -87.59 -55.04 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.638 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.2 pt? -54.63 -15.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.74 -32.57 27.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.529 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.469 ' HA ' HE21 ' A' ' 79' ' ' GLN . 26.3 m -89.53 -26.99 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.484 HG21 HH21 ' A' ' 80' ' ' ARG . 6.0 mt -73.24 -38.39 54.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.539 HG13 ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.25 -43.59 82.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.471 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 76' ' ' VAL . 46.2 mt-30 -52.11 -41.61 62.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.601 0.238 . . . . 0.0 111.416 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.484 HH21 HG21 ' A' ' 77' ' ' ILE . 62.9 mtm180 -45.99 -38.85 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.555 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.8 mp -91.59 -40.01 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.52 84.34 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mtp -59.99 -48.19 82.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.375 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.48 -21.08 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.61 38.47 68.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.569 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.16 -16.38 53.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.001 0.401 . . . . 0.0 110.496 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.23 -21.74 23.94 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.715 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -128.77 133.47 48.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.48 126.93 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.732 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -87.24 154.13 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.02 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.407 ' O ' HG12 ' A' ' 95' ' ' VAL . 19.0 t80 -45.84 -57.97 3.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.968 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.539 ' HA ' HG23 ' A' ' 95' ' ' VAL . 45.9 mt-10 -51.44 -51.76 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.784 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.8 -25.3 18.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.783 0.325 . . . . 0.0 111.254 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -90.37 -36.77 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.539 HG23 ' HA ' ' A' ' 92' ' ' GLU . 15.9 m -62.7 -30.7 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.536 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.4 m -78.94 -47.02 17.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 0.0 111.479 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -22.93 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt -102.03 -19.71 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.63 -118.98 1.34 Allowed Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.457 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.48 2.12 . . . . 0.0 112.251 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.533 0.206 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.5 87.98 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.361 2.041 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -106.05 -39.38 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.628 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -100.64 121.25 53.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.627 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.35 127.99 24.73 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.318 2.012 . . . . 0.0 112.202 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.41 142.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -137.9 141.49 40.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.83 -171.08 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -70.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.746 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.22 92.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.124 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.2 mtm -64.7 95.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -77.7 -55.34 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -164.85 132.88 3.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.34 79.52 0.37 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.209 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tp -62.02 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 111.324 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -107.63 173.63 6.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -156.11 88.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 m -99.94 141.37 22.65 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.28 -45.6 7.12 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.527 2.151 . . . . 0.0 112.516 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -170.66 84.47 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.81 8.01 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.9 pt? -104.83 21.79 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.772 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -109.1 -48.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.02 -26.24 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.251 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.441 HE21 ' H ' ' A' ' 26' ' ' ARG . 25.9 tp60 64.42 131.99 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' H ' HE21 ' A' ' 25' ' ' GLN . 23.9 ptt180 -62.73 135.43 95.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.27 115.28 1.93 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.634 2.223 . . . . 0.0 112.541 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.56 166.39 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -132.53 -18.87 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.66 114.09 55.03 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.49 150.55 84.11 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.105 1.87 . . . . 0.0 112.103 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -40.49 -41.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.926 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.37 -47.06 18.76 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -26.78 19.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.634 0.254 . . . . 0.0 111.463 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.735 -178.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.7 -30.0 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.705 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.3 -29.82 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.218 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 98' ' ' LEU . 64.4 mt -70.7 -49.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.011 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.0 mtp180 -68.0 -70.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.416 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -39.06 -31.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -64.52 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 32.3 m-85 -77.12 -28.33 54.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.2 -40.46 77.47 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.358 -0.137 . . . . 0.0 111.29 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 41' ' ' ALA . 22.4 m -73.17 -35.84 48.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 25.2 m-85 -58.41 -18.59 29.3 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.56 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -71.2 90.73 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.099 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -54.87 -40.56 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.619 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.78 -19.33 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.88 19.0 19.99 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.045 -0.597 . . . . 0.0 113.075 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -74.63 0.67 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.763 0.316 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.78 -11.03 66.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.05 143.72 49.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.733 0.302 . . . . 0.0 110.484 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 15.0 mt -109.69 109.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 111.566 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -69.45 -178.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.12 -50.51 67.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 111.517 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.85 -35.88 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.483 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.19 -49.2 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.294 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -19.72 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.87 70.0 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.741 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.6 m -89.99 -21.96 22.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.128 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.164 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.85 -47.52 65.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.669 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -56.96 -26.15 59.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.5 t -60.98 -43.32 99.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.12 -16.64 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.37 9.4 10.42 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.4 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 62.9 m-85 -121.53 96.85 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.619 0.247 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -79.88 111.41 21.35 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -89.11 147.79 5.51 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -96.35 -175.24 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.868 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.575 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -86.77 -19.58 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.699 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -85.05 -50.86 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.84 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.5 pp -55.74 -13.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG3' HD11 ' A' ' 74' ' ' LEU . 48.8 mt-10 -87.27 -30.58 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -90.11 -25.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.92 -22.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.719 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.616 HG13 ' HG3' ' A' ' 55' ' ' LYS . 28.2 mm -90.05 -17.98 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -81.71 -14.03 57.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -82.02 -51.24 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.77 -41.2 68.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.097 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -69.43 82.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mtp -77.6 -45.32 25.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.444 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.1 p30 -68.17 -9.59 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.394 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.06 31.79 80.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.254 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.55 -12.93 60.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 -30.45 10.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.27 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -118.52 174.45 6.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.4 123.55 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.429 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.45 149.36 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.983 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.09 -32.82 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.0 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.475 ' HA ' HG23 ' A' ' 95' ' ' VAL . 44.7 mt-10 -71.75 -51.49 22.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.359 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.68 -20.46 48.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.332 . . . . 0.0 111.061 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -89.11 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.58 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 92' ' ' GLU . 6.8 m -56.48 -32.18 35.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 m -77.92 -46.22 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.711 0.264 . . . . 0.0 111.711 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.73 -18.21 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.676 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 38' ' ' ILE . 4.5 pp -109.39 -13.9 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.715 0.293 . . . . 0.0 111.243 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.69 158.56 14.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.52 2.146 . . . . 0.0 112.335 179.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.649 0.262 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.02 -2.65 11.4 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.44 2.093 . . . . 0.0 112.248 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -65.47 -23.15 66.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -80.78 113.21 38.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.95 110.79 3.15 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.355 2.037 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 m -103.9 3.17 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -97.57 -60.08 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.15 109.94 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.32 -70.21 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 10' ' ' LEU . 3.3 mm? 50.92 36.32 14.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -77.03 -171.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.031 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -58.87 -52.92 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -82.18 68.62 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.76 -26.06 0.88 Allowed Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.45 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 HG13 ' H ' ' A' ' 17' ' ' THR . 7.5 tp -67.97 137.63 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -70.42 -37.58 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.807 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.449 ' H ' HG13 ' A' ' 15' ' ' ILE . 9.7 t 35.76 46.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.006 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 58.8 t -92.96 135.6 25.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 3.2 Cg_exo -81.44 -58.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.154 2.57 . . . . 0.0 112.913 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -49.98 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.72 21.23 8.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.481 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' H ' HD22 ' A' ' 22' ' ' LEU . 1.9 pt? -107.99 -23.96 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 m -106.69 -59.72 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.62 -38.63 25.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.528 ' HG2' ' HG3' ' A' ' 26' ' ' ARG . 8.6 tt0 57.25 -109.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' HG3' ' HG2' ' A' ' 25' ' ' GLN . 99.2 mtt180 -100.29 149.49 36.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.13 38.85 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.578 2.185 . . . . 0.0 112.043 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.8 108.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.35 84.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.611 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 30' ' ' ILE . 2.2 mp -107.85 134.59 20.02 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.063 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 30' ' ' ILE . 58.0 Cg_endo -80.98 148.52 17.25 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.594 2.196 . . . . 0.0 112.316 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -43.62 -40.73 4.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.611 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -48.22 -47.3 35.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.893 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.96 -24.8 52.33 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.32 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD13 HD11 ' A' ' 38' ' ' ILE . 5.3 tp -71.6 -36.76 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.314 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.73 -27.73 66.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.774 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.13 -26.94 56.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.468 HD11 HD13 ' A' ' 35' ' ' LEU . 23.3 mt -70.33 -48.23 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 13.0 mtp180 -68.27 -70.83 0.24 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.398 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -38.83 -31.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.91 -77.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.482 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.1 m-85 -77.88 -20.58 52.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 5.4 tppt? -67.03 -37.77 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.067 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.9 m -73.32 -35.35 46.2 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.028 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.5 m-85 -60.49 -18.07 49.25 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.39 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -73.03 90.75 1.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.951 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -54.08 -40.09 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.812 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.2 -20.11 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 111.144 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.08 20.05 40.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.005 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.88 -0.22 23.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 -18.8 56.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -113.77 139.59 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 13.8 mt -103.16 121.7 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.074 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.9 m -83.64 -177.86 6.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.9 mppt? -64.76 -51.62 61.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 111.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -59.19 -28.28 66.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.406 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -83.4 -50.1 8.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.4 tm? -60.05 -27.09 66.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.217 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.54 -19.98 71.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -87.61 -21.36 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.197 0.522 . . . . 0.0 110.162 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.36 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.306 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.59 -44.79 96.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.491 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 65' ' ' LEU . 14.2 ptm180 -60.28 -24.4 64.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -75.68 12.52 1.02 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 63' ' ' ARG . 47.6 mt -120.7 -20.44 7.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.9 15.78 6.09 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.17 89.97 2.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.721 0.296 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.22 111.17 4.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.1 135.23 3.79 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.596 2.198 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.49 HD21 ' H ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -93.23 -177.84 4.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.42 -22.66 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' H ' HD21 ' A' ' 70' ' ' ASN . 21.6 t -90.0 -23.69 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.573 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -77.41 -55.57 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.883 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -56.93 -14.1 3.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HG2' HD13 ' A' ' 74' ' ' LEU . 53.5 mm-40 -88.6 -29.53 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.1 m -90.35 -26.05 5.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.16 -30.18 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.636 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.667 HG13 ' HG3' ' A' ' 55' ' ' LYS . 22.0 mm -77.58 -21.38 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.903 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -83.11 -16.65 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 80' ' ' ARG . 3.6 mmp_? -80.1 -26.31 39.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.739 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 89' ' ' VAL . 6.5 mt -98.89 -42.23 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.71 88.25 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.0 mmt -83.08 -45.44 14.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.107 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.52 -19.4 64.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.14 53.59 4.12 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.095 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -109.2 6.14 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.787 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.02 -18.67 7.46 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.823 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -123.32 163.71 20.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 81' ' ' LEU . 41.4 t -94.03 134.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.527 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -92.63 149.33 21.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.65 -25.11 66.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.86 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.492 ' HA ' HG21 ' A' ' 95' ' ' VAL . 44.4 mt-10 -75.42 -50.43 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.42 -23.52 49.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.916 0.388 . . . . 0.0 111.056 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.25 -46.44 9.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.071 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 92' ' ' GLU . 6.9 m -55.73 -33.42 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -75.59 -46.49 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -19.94 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.708 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 pp -110.72 -14.9 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.54 103.15 2.2 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.337 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.448 2.099 . . . . 0.0 112.191 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -17.01 46.6 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.537 2.158 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -85.61 -11.52 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.61 127.5 56.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.11 126.39 11.74 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.312 2.008 . . . . 0.0 112.263 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -114.49 152.43 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.9 m 64.15 88.09 0.1 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.3 116.11 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.05 -20.61 32.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.41 90.76 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.01 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.2 ttp -119.75 39.31 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.234 0.54 . . . . 0.0 110.518 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -83.87 -13.75 52.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.664 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 60.97 90.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.3 153.33 24.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 tp -82.04 130.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -101.48 131.37 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 t -152.0 41.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.488 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.3 t -55.45 133.11 70.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.169 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 51.9 Cg_endo -90.95 -57.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.103 2.536 . . . . 0.0 112.438 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -70.03 77.32 0.49 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.819 0.342 . . . . 0.0 110.312 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -109.47 33.08 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.399 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.26 -16.59 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 25' ' ' GLN . 44.9 t -97.87 22.94 8.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.588 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HA ' HD23 ' A' ' 21' ' ' LEU . 35.5 tt0 -47.61 -12.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.482 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 75.8 mt-30 71.26 -163.08 0.14 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.519 . . . . 0.0 111.434 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -49.41 149.93 3.63 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.266 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.61 19.72 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.098 2.532 . . . . 0.0 112.252 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -82.62 124.81 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 52.28 84.05 0.05 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.218 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.8 mm -71.23 131.27 87.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 33' ' ' ASP . 13.9 Cg_endo -56.18 150.69 47.31 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.473 2.116 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.27 -11.0 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.054 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.8 t70 -51.99 -39.82 59.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -78.98 -20.68 48.51 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.1 0.476 . . . . 0.0 110.546 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -74.72 -29.16 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.95 -32.26 63.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -33.95 77.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.26 -53.26 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 37.2 mtp180 -64.74 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.522 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -38.62 -31.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.11 -79.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.463 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.8 m-85 -77.44 -31.04 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HZ3' ' HB2' ' A' ' 91' ' ' PHE . 3.7 tppt? -55.37 -40.26 71.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.355 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 41' ' ' ALA . 30.7 m -71.86 -36.43 58.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.214 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.463 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.4 m-85 -59.73 -18.27 41.41 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.488 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.22 90.79 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.113 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -58.23 -34.86 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.51 -19.14 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.93 17.95 24.19 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.063 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -81.47 0.81 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.31 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.48 -15.89 62.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.2 m-85 -112.62 141.78 45.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.694 0.283 . . . . 0.0 110.657 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 23.5 mt -113.59 111.41 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.9 t -69.5 179.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.3 mppt? -65.67 -47.88 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.91 -35.86 71.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.91 -48.68 34.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -19.91 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.25 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 -24.31 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.522 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 m -81.76 -32.77 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.1 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.016 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mmm -64.14 -49.82 70.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.49 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -63.22 -26.71 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -55.73 -37.41 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.59 -16.25 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.55 19.18 7.13 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.346 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.5 96.43 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.06 110.66 4.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.95 129.8 3.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.476 2.118 . . . . 0.0 112.708 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.642 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 20.2 m120 -71.8 154.97 40.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.411 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.21 -17.46 41.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.87 -30.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.015 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.642 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.0 mm-40 -74.07 -49.26 24.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.685 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -54.74 -14.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.659 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.11 -37.1 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.331 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 31.7 m -84.57 -22.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.597 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -81.41 -30.21 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.651 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.565 HG13 ' HG3' ' A' ' 55' ' ' LYS . 19.7 mm -84.03 -20.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.971 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 5.2 pp0? -80.37 -12.9 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 90.7 mtt180 -76.23 -47.61 23.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.694 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 81' ' ' LEU . 6.8 mp -80.34 -41.86 24.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -65.63 86.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.0 mmt -70.89 -54.76 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.01 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.7 p-10 -68.45 -14.73 63.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.91 46.52 44.53 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.0 p-10 -92.97 8.31 40.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.052 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.64 -15.77 28.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.5 mt-30 -131.65 161.62 32.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.58 131.84 54.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.53 155.78 18.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 43' ' ' LYS . 36.6 t80 -48.14 -60.86 2.31 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.865 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.536 ' O ' HG13 ' A' ' 95' ' ' VAL . 43.2 mt-10 -44.43 -56.42 4.26 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.55 -32.44 28.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.341 . . . . 0.0 111.448 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -90.43 -19.79 23.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 92' ' ' GLU . 2.0 p -80.01 -28.73 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 111.566 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 m -82.43 -44.05 16.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.6 -26.31 68.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.74 -20.12 17.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.552 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.07 90.8 0.19 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.49 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.574 2.183 . . . . 0.0 112.407 179.752 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.448 0.166 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.63 134.25 43.31 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.497 2.131 . . . . 0.0 112.366 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -90.04 -16.01 30.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -78.57 149.07 74.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.1 130.03 32.69 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.67 2.247 . . . . 0.0 112.414 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.69 97.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.6 p -88.7 146.59 24.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 122.8 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.47 -5.46 24.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.405 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt 58.95 73.75 0.47 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.727 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -59.89 98.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.011 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -62.36 -60.0 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.786 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 63.13 161.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.29 32.82 3.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.3 tt -126.58 146.89 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -75.29 139.97 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 m -115.52 -25.36 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.46 140.36 88.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -78.8 -45.49 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.669 2.246 . . . . 0.0 113.063 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.84 59.45 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.818 0.342 . . . . 0.0 111.408 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.72 -5.8 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.534 ' H ' HD22 ' A' ' 22' ' ' LEU . 2.3 pt? -61.4 -10.34 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.345 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -69.42 -33.91 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.33 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.03 -7.05 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.072 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -74.6 -80.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -65.84 138.84 96.61 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.631 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.83 97.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 m -69.89 170.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.46 109.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -51.53 130.04 34.84 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 33' ' ' ASP . 10.9 Cg_endo -53.87 151.29 26.96 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.071 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.85 -7.41 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.812 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 31' ' ' PRO . 20.2 t70 -53.64 -34.36 58.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -84.61 -23.71 29.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 HD12 HD12 ' A' ' 38' ' ' ILE . 3.8 tp -76.11 -29.21 57.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.838 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -62.51 -36.33 82.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.366 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.45 -22.28 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.404 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.431 HD12 HD12 ' A' ' 35' ' ' LEU . 95.8 mt -61.49 -68.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.163 0.506 . . . . 0.0 111.264 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.7 ' HB2' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -63.71 -46.39 85.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.749 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.644 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 5.0 tm-20 -51.18 -20.7 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 111.154 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -80.04 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 6.0 m-85 -73.18 -19.13 61.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.7 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.04 -35.63 56.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.598 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 41' ' ' ALA . 17.1 m -68.04 -30.71 49.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 45.2 m-85 -65.57 -19.7 66.02 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.893 0.378 . . . . 0.0 110.188 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.74 92.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.258 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.92 -37.87 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.45 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.35 -19.64 53.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.36 23.18 40.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.677 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.57 HD21 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -76.19 -3.73 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.089 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' N ' HD21 ' A' ' 50' ' ' ASN . . . 97.65 -8.61 63.99 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.633 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' H ' HD21 ' A' ' 50' ' ' ASN . 4.4 m-85 -122.09 149.22 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.731 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.0 mt -113.05 128.34 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.469 ' HG ' ' H ' ' A' ' 55' ' ' LYS . 30.8 t -93.75 -178.09 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HB3' HD11 ' A' ' 74' ' ' LEU . 4.0 mppt? -63.58 -48.22 78.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -61.83 -31.04 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.703 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.54 -49.34 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.3 -22.01 64.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.69 71.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.492 HG22 ' HE ' ' A' ' 63' ' ' ARG . 27.2 m -86.55 -29.39 22.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.335 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.41 -50.29 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.1 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.428 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . 23.9 mmt -57.51 -48.88 78.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.849 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.492 ' HE ' HG22 ' A' ' 60' ' ' THR . 23.6 ptt180 -59.96 -23.69 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.805 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.9 t -79.89 13.08 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.19 -20.25 7.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.469 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.7 15.08 6.47 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.932 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 28.3 m-85 -131.07 114.85 15.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.677 0.275 . . . . 0.0 110.416 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.9 ptp -85.09 110.13 26.22 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.193 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HG3' ' HB2' ' A' ' 62' ' ' MET . 71.8 Cg_endo -90.08 133.94 2.07 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.61 2.207 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -83.85 175.16 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.57 -16.59 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.492 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -24.63 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.13 -50.31 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.756 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.65 HD11 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -55.34 -14.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.792 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -82.99 -35.76 25.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.485 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.63 -35.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.19 -29.19 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.228 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.626 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -67.72 -37.74 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.449 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -59.62 -39.82 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.282 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -50.88 -57.41 8.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -73.0 -48.5 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.34 77.82 2.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.9 mtm -65.82 -32.94 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.29 -20.7 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.18 28.47 73.71 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.8 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -86.54 -2.56 58.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 -12.15 67.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.764 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -133.13 151.32 52.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.948 0.404 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.02 129.57 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.334 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.283 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 14.7 t80 -46.26 -58.0 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.382 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 95' ' ' VAL . 43.0 mt-10 -48.8 -51.49 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -54.24 -27.34 34.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -83.27 -48.35 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -58.51 -27.42 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.9 m -74.07 -53.78 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.46 -18.8 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 111.288 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt -103.37 -20.63 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -133.2 83.54 0.29 Allowed Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.634 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.557 2.171 . . . . 0.0 112.259 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.633 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . 65.8 mtt . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.633 ' HD2' ' H2 ' ' A' ' 1' ' ' MET . 74.1 Cg_endo -75.15 143.02 28.1 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.915 1.744 . . . . 0.0 112.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -71.67 -12.15 61.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -109.79 115.74 55.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.24 133.19 22.37 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.268 1.978 . . . . 0.0 112.254 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.9 m -113.19 -43.05 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.215 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 t -175.25 146.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.39 130.66 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.031 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -86.25 -20.16 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 35.5 tp 75.8 -48.14 0.59 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.235 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.6 mmm 60.08 179.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 111.432 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.88 -22.78 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 61.16 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.91 -46.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.256 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 tp -101.35 143.98 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -78.95 -86.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p 44.0 72.78 0.17 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 21' ' ' LEU . 28.2 m -89.59 144.67 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HG2' ' H ' ' A' ' 20' ' ' ASN . 70.7 Cg_endo -75.94 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.454 2.102 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' H ' ' HG2' ' A' ' 19' ' ' PRO . 44.1 m-80 -150.68 46.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -73.27 -18.8 61.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.59 ' H ' HD21 ' A' ' 22' ' ' LEU . 2.4 pt? -82.56 -2.51 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.3 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.3 m -110.08 -19.72 12.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.39 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.55 34.72 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.319 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 22' ' ' LEU . 10.2 pt20 -91.4 4.09 53.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.748 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 66.8 mtp180 -77.74 152.61 80.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 11.4 Cg_exo -71.22 8.79 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.655 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.5 m -93.25 165.82 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 63.82 88.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.51 HG22 ' HD2' ' A' ' 31' ' ' PRO . 87.3 mt -87.66 137.51 32.0 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.183 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.51 ' HD2' HG22 ' A' ' 30' ' ' ILE . 84.5 Cg_endo -78.36 148.92 24.17 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.461 2.107 . . . . 0.0 111.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -51.24 -15.74 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.47 -48.95 79.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -22.87 58.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.178 0.513 . . . . 0.0 110.135 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 38' ' ' ILE . 8.4 tp -68.42 -29.59 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.508 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.58 -37.1 84.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.974 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -29.61 69.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.499 HD12 HD13 ' A' ' 98' ' ' LEU . 69.6 mt -64.53 -55.32 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.035 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.512 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -59.93 -68.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.41 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -69.08 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 112.117 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -74.95 -22.76 58.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.46 -40.65 93.45 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 41' ' ' ALA . 33.6 m -69.9 -34.22 59.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.441 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.2 m-85 -58.85 -18.22 30.78 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.368 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -78.32 95.31 5.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.684 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -55.46 -37.07 67.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.175 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.533 ' HB2' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -84.66 -20.58 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.619 0.247 . . . . 0.0 111.611 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.71 54.28 34.04 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.32 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.533 ' OD1' ' HB2' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -101.18 -3.24 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.61 -10.16 64.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.89 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -126.51 129.94 49.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.717 0.294 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 11.4 mt -99.13 129.46 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.428 . . . . 0.0 111.535 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 m -86.18 179.89 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.641 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -67.73 -48.9 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.716 0.293 . . . . 0.0 110.947 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.89 -42.39 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.58 -44.77 85.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' HB2' HD12 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -60.84 -21.61 63.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.93 -25.32 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.005 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.51 -21.9 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 0.0 110.35 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.42 -44.84 50.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.351 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.34 -49.43 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.887 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -53.68 -26.47 22.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.675 0.274 . . . . 0.0 111.267 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -62.11 -41.9 98.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.845 0.355 . . . . 0.0 110.652 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.32 -18.9 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.79 -0.85 17.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.44 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 60.7 m-85 -108.91 113.3 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -90.27 108.0 23.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.322 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 65.6 Cg_endo -89.9 152.63 4.94 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.529 HD21 ' H ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -99.97 -179.04 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.758 179.643 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.94 -22.33 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.529 ' H ' HD21 ' A' ' 70' ' ' ASN . 21.0 t -90.07 -23.79 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.616 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.506 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mm-40 -80.97 -50.49 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.66 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD13 ' HG3' ' A' ' 75' ' ' GLU . 2.1 pp -54.67 -13.79 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' HG3' HD13 ' A' ' 74' ' ' LEU . 46.6 mt-10 -85.92 -33.16 21.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.683 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.14 -23.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.6 mt -78.47 -31.99 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 111.313 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.641 HG13 ' HG3' ' A' ' 55' ' ' LYS . 10.0 mm -67.42 -51.35 53.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.759 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.84 -8.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -70.61 -34.51 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.688 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.8 mt -107.64 -30.72 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 89' ' ' VAL . 28.6 t0 -72.06 84.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.375 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.74 -34.92 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.068 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.86 -26.15 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.82 29.48 67.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.823 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.45 16.03 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.08 -5.25 27.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.932 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -132.5 139.42 47.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.438 HG21 ' HB2' ' A' ' 82' ' ' ASP . 52.8 t -97.76 126.31 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.27 153.95 20.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.944 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.67 -45.78 63.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.485 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' O ' HG13 ' A' ' 95' ' ' VAL . 46.6 mt-10 -52.6 -59.71 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.788 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.42 -34.85 26.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -86.46 -20.37 28.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.904 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -74.77 -29.63 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.427 -179.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.8 m -80.98 -42.18 21.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -54.67 -33.96 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.499 HD13 HD12 ' A' ' 38' ' ' ILE . 4.5 pp -103.39 -16.54 15.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.68 75.61 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.499 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.652 2.235 . . . . 0.0 112.308 179.864 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.574 0.225 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.16 118.88 5.91 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.513 2.142 . . . . 0.0 112.056 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -89.67 -25.14 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -89.22 109.85 34.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.924 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.27 135.76 44.52 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.3 t 59.49 -85.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.48 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -73.47 167.27 21.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.47 111.49 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.28 25.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt 57.68 16.87 3.7 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.364 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.2 mtm -140.44 -173.91 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -79.74 -35.85 38.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -166.31 96.23 0.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.77 116.01 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.643 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 tp -169.32 139.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -92.58 147.95 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.574 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.0 m -111.48 -50.18 2.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.4 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.14 145.87 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.271 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.4 -60.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.356 2.037 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -152.73 59.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.92 32.25 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.07 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 23' ' ' SER . 3.0 pp -103.51 -17.56 15.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.9 t -110.18 -32.27 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -79.78 -8.32 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.93 125.94 32.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -69.68 126.87 92.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.59 91.99 0.96 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.503 2.135 . . . . 0.0 112.417 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.79 168.83 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -138.8 36.21 2.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 HG22 ' HG2' ' A' ' 34' ' ' GLU . 48.6 mm -104.98 133.04 20.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.28 144.3 45.77 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.28 1.986 . . . . 0.0 112.123 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.55 -19.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.25 -42.59 81.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.693 0.283 . . . . 0.0 111.173 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' HG2' HG22 ' A' ' 30' ' ' ILE . 2.1 tp10 -78.78 -23.22 45.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.02 0.438 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.557 HD12 HD13 ' A' ' 38' ' ' ILE . 13.2 tp -71.46 -29.62 65.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.394 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.82 -37.7 71.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.222 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.47 -40.84 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD13 HD12 ' A' ' 35' ' ' LEU . 81.4 mt -58.19 -53.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.03 -68.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.6 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.474 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -68.99 -80.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.49 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 25.0 m-85 -77.31 -20.91 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.5 tppt? -66.04 -40.53 91.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 41' ' ' ALA . 34.2 m -69.4 -34.64 63.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.764 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.49 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.6 m-85 -61.92 -18.21 59.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.303 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -78.24 100.55 6.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.126 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -67.12 -37.41 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.52 -19.19 56.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.91 24.97 29.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.019 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -79.95 -4.63 53.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.56 -19.28 45.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' HB3' ' HB2' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -116.81 137.92 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.68 0.276 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 10.8 mt -100.12 113.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.73 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 66.0 m -64.64 171.56 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.198 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.63 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.13 -47.55 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.351 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -63.02 -28.58 70.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.04 -50.96 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -19.53 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.6 -19.76 71.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.559 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.5 m -89.93 -23.41 21.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.233 0.539 . . . . 0.0 109.716 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.32 -39.55 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.023 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.0 mmm -68.54 -44.39 74.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.622 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -56.34 -29.26 61.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.884 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 t -60.57 -37.9 82.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.259 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.68 -21.06 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.805 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.85 21.2 4.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.465 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 90.0 m-85 -121.25 109.98 15.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.464 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -98.77 101.26 11.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.7 Cg_endo -88.11 143.28 5.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.774 2.316 . . . . 0.0 112.318 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 35.5 m-80 -83.7 -173.14 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.77 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.56 -33.37 74.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.46 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.14 -23.61 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.765 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -69.6 -51.1 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.734 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.9 pp -57.01 -13.83 3.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' HD11 ' A' ' 74' ' ' LEU . 44.2 mt-10 -83.34 -33.17 25.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.628 0.251 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -88.58 -24.33 6.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -81.01 -28.09 11.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 0.0 111.423 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.61 HG13 ' HG3' ' A' ' 55' ' ' LYS . 14.0 mm -82.97 -23.61 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.822 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.62 -21.91 54.87 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.021 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -66.82 -48.75 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.224 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 81' ' ' LEU . 6.5 mp -76.87 -38.76 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.0 80.47 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.845 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.1 mtp -80.57 -37.76 30.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.248 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -20.23 64.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.63 33.88 36.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -84.19 -2.53 57.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.098 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.73 ' NE2' ' HA ' ' A' ' 54' ' ' SER . 3.2 mm100 -122.75 165.93 15.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.793 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.1 117.4 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -86.55 152.22 22.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -46.12 -46.82 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.462 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -52.99 -53.83 44.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.815 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.34 -38.39 58.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.945 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -86.78 -19.54 28.91 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.86 -24.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.496 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -87.35 -38.33 16.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.25 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.65 -39.89 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 pp -94.61 -16.22 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.37 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.59 174.79 41.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.67 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.642 2.228 . . . . 0.0 112.26 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . 84.4 mtp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.569 0.223 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' H3 ' ' A' ' 1' ' ' MET . 70.2 Cg_endo -76.36 -89.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.378 2.052 . . . . 0.0 112.564 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.403 ' H ' ' HG2' ' A' ' 2' ' ' PRO . 80.5 m-85 -110.8 -35.07 6.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -89.08 150.17 44.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.232 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 154.39 19.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.684 2.256 . . . . 0.0 112.226 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.72 -20.51 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -108.39 144.28 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.66 -164.5 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.29 -66.65 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.669 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 64.94 154.88 0.07 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.5 ttm -136.71 25.66 3.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -86.43 -5.08 59.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 55.77 76.11 0.29 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.057 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.06 -54.17 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.9 tp -114.02 144.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.954 0.407 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -82.5 137.62 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.3 p -77.9 -25.19 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.503 ' HB ' HD12 ' A' ' 21' ' ' LEU . 26.0 m -97.16 149.73 36.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.69 -60.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.196 1.93 . . . . 0.0 112.592 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -151.42 65.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 HD12 ' HB ' ' A' ' 18' ' ' VAL . 6.0 mp -122.2 20.66 10.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.7 pt? -109.68 -0.44 18.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -108.75 -59.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -116.63 -50.68 2.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.184 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 61.6 99.6 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.979 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.59 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -64.58 149.87 94.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.61 102.63 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.458 2.106 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.39 173.47 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.541 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -162.39 141.29 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.3 mm -107.72 135.33 19.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 33' ' ' ASP . 10.2 Cg_endo -51.1 151.23 12.41 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.785 2.324 . . . . 0.0 112.368 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -49.45 -12.22 0.06 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.926 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 31' ' ' PRO . 23.6 t70 -49.36 -36.45 21.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.22 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -88.75 -21.38 23.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.9 -31.1 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.606 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.73 -26.81 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.13 -24.77 51.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.264 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.555 HG12 HD13 ' A' ' 98' ' ' LEU . 51.5 mt -67.37 -51.24 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 7.9 mtp180 -60.06 -67.97 0.34 Allowed 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.54 -31.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -65.57 -80.63 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.0 m-85 -78.81 -22.48 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -63.38 -35.82 81.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.053 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 41' ' ' ALA . 25.9 m -76.86 -33.59 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.101 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 22.1 m-85 -57.49 -18.0 16.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.884 0.373 . . . . 0.0 110.31 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.92 93.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.917 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -54.95 -50.14 69.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.312 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.08 -20.34 49.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 111.246 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.73 31.02 74.02 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.573 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -76.03 -0.88 23.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.11 0.455 . . . . 0.0 110.793 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 0.64 58.64 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.428 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.15 154.68 50.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 110.326 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 25.6 mt -116.69 101.2 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 32.9 t -66.45 -178.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.633 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.31 -47.63 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 111.214 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -59.31 -40.65 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.66 -49.02 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -19.57 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.239 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.79 -24.3 72.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.414 HG21 ' HD2' ' A' ' 63' ' ' ARG . 40.0 m -87.74 -20.57 26.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.04 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.26 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.124 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 94.7 mmm -69.64 -48.2 60.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.549 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HD2' HG21 ' A' ' 60' ' ' THR . 6.2 ptp180 -54.27 -32.51 56.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.049 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -56.8 -41.63 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.33 -18.7 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.53 24.94 3.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.452 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.53 99.72 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.11 109.3 29.87 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.22 146.63 11.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.615 2.21 . . . . 0.0 112.302 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.438 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 37.1 m-80 -83.74 176.03 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.15 -34.01 65.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -24.62 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.646 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 19.5 mm-40 -72.77 -51.91 17.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.405 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' A' ' 75' ' ' GLU . 3.1 pp -54.7 -14.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.788 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 74' ' ' LEU . 45.9 mt-10 -86.97 -39.15 15.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.585 0.231 . . . . 0.0 111.286 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 HD12 ' A' ' 77' ' ' ILE . 34.4 m -83.93 -28.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.71 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.604 HD12 HG22 ' A' ' 76' ' ' VAL . 1.5 mp -70.02 -30.32 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.381 . . . . 0.0 110.667 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.633 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.4 mm -68.19 -54.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.868 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.99 -8.78 0.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 2.9 mmp_? -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.951 0.405 . . . . 0.0 110.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 HG13 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -114.05 -24.36 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.473 ' HB2' HG22 ' A' ' 89' ' ' VAL . 27.5 t70 -71.22 89.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.6 mmm -76.81 -31.87 57.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.95 -21.53 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.303 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.34 25.07 59.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.903 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -87.85 7.97 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.34 -12.56 58.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.718 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 41.8 mt-30 -132.24 142.33 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.542 HG13 HD13 ' A' ' 81' ' ' LEU . 45.4 t -94.77 130.16 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.67 150.01 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -43.34 -60.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.977 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.0 mt-10 -42.58 -47.88 5.28 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.0 -42.5 69.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -80.05 -42.42 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -54.46 -24.03 11.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.683 0.277 . . . . 0.0 111.542 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.0 m -84.48 -38.14 20.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.77 -36.67 26.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD13 HG12 ' A' ' 38' ' ' ILE . 2.5 pt? -109.82 -6.94 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.06 -177.07 50.4 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.301 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 122.405 2.07 . . . . 0.0 112.245 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.5 -27.15 19.28 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.45 2.1 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -72.57 -30.12 64.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -99.91 105.96 38.08 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.92 144.67 93.69 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.473 2.115 . . . . 0.0 112.418 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.46 137.97 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m -142.66 -35.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.83 -174.42 1.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.37 -69.48 0.34 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.93 171.82 17.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.272 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.5 mmt -140.26 28.31 2.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -74.32 -45.73 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 57.36 88.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.74 -59.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.39 149.79 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.597 0.237 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -53.23 -86.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m 43.38 77.92 0.06 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -47.87 107.03 0.67 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.52 -53.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.57 2.18 . . . . 0.0 112.811 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -126.83 93.43 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.68 33.08 4.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' H ' HD22 ' A' ' 22' ' ' LEU . 2.0 pt? -97.8 -26.88 14.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.7 p -103.44 -29.29 11.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.32 27.58 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -66.04 -20.89 66.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.136 0.493 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.69 154.59 56.09 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.918 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -80.78 33.63 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.598 2.198 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 t -119.21 134.25 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -179.21 136.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.501 HG22 ' HG3' ' A' ' 34' ' ' GLU . 1.6 mp -93.51 123.0 61.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.29 150.79 76.61 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.377 2.051 . . . . 0.0 112.114 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -35.37 -46.28 0.37 Allowed 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.496 0.498 . . . . 0.0 112.263 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -45.7 -68.77 0.17 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.656 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.501 ' HG3' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -68.52 -19.26 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD13 HD11 ' A' ' 38' ' ' ILE . 13.5 tp -67.59 -35.45 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.661 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 47.7 mt-10 -56.96 -31.73 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.702 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.44 -36.19 77.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.581 HD11 HD13 ' A' ' 35' ' ' LEU . 80.4 mt -65.72 -52.8 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -59.49 -66.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.317 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 44' ' ' VAL . 12.6 mm-40 -38.79 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.76 -82.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 4.9 m-85 -72.32 -24.35 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -65.15 -39.88 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.2 m -68.26 -34.62 67.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.816 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 54.2 m-85 -61.87 -17.96 58.39 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.203 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -78.12 99.49 6.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -60.68 -39.3 87.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.783 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.82 -19.24 55.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 13.2 18.22 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.79 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.01 1.31 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.41 -14.18 65.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.3 m-85 -112.22 146.22 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -115.76 104.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.255 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -60.79 175.98 0.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.62 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.66 -51.27 65.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.31 -33.24 67.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 -179.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.62 -46.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.163 0.506 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.49 -28.26 66.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 179.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.82 -16.89 68.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.1 m -85.08 -26.09 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.07 0.462 . . . . 0.0 110.13 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.35 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.937 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE1' HG22 ' A' ' 77' ' ' ILE . 26.4 mmt -64.48 -49.55 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.495 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -54.98 -30.56 59.52 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.732 0.301 . . . . 0.0 111.054 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -55.93 -37.77 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.58 -20.08 60.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.16 28.92 2.27 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.559 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.78 99.88 4.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 4.0 mpp? -76.72 110.25 11.15 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 1.0 OUTLIER -83.84 136.11 7.0 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.99 2.46 . . . . 0.0 112.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.426 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 78.0 m-20 -81.61 -174.62 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.922 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.14 -62.56 1.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.57 -19.43 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.95 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 16.7 mm-40 -73.47 -59.18 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.375 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.6 pp -55.97 -15.1 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.491 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -83.08 -38.95 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.657 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 73' ' ' GLU . 26.1 m -76.63 -24.94 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 111.597 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.506 HG22 ' HE1' ' A' ' 62' ' ' MET . 5.6 mt -81.32 -34.19 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.399 . . . . 0.0 111.29 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.593 HG13 ' HG3' ' A' ' 55' ' ' LYS . 9.2 mm -73.64 -27.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.075 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 10.7 pt20 -71.7 -12.88 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.93 -41.07 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.02 -49.79 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.816 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -67.7 88.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 92.8 mmm -70.46 -51.78 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.978 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.49 -22.98 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.488 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.16 44.5 9.69 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.37 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.61 12.37 19.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.747 0.308 . . . . 0.0 111.042 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.41 6.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.831 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 93.1 mt-30 -129.04 162.1 28.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.29 124.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -87.17 153.1 21.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.04 -53.26 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.486 ' O ' HG11 ' A' ' 95' ' ' VAL . 45.5 mt-10 -50.0 -58.94 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.83 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.19 -30.61 17.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.81 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -89.34 -21.5 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.486 HG11 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -70.52 -26.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.651 0.262 . . . . 0.0 111.501 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -90.08 -38.96 13.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.54 -28.49 45.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.406 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.421 HD11 HD13 ' A' ' 38' ' ' ILE . 4.3 pp -104.39 -10.37 17.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.59 129.01 9.66 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.404 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.305 2.004 . . . . 0.0 112.177 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.646 0.26 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.18 106.3 2.01 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.541 2.161 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -89.72 -25.63 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.8 m80 -91.2 131.94 35.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 31.3 Cg_exo -61.73 136.84 64.75 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.487 2.125 . . . . 0.0 112.19 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.35 -169.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 m -91.4 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.88 140.1 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 111.175 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.61 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 10' ' ' LEU . 7.3 mp -64.71 161.28 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.0 mmm 55.65 55.55 7.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.937 0.399 . . . . 0.0 110.45 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.07 -30.72 61.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.225 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -130.77 -22.53 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.17 -66.46 3.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.11 137.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -85.2 137.34 33.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.6 p -128.46 20.87 6.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HB ' HD13 ' A' ' 21' ' ' LEU . 42.0 t -73.46 137.24 77.85 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 3.0 Cg_exo -76.86 -53.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.015 2.477 . . . . 0.0 112.231 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -75.1 77.3 2.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.805 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.26 37.7 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.613 ' H ' HD21 ' A' ' 22' ' ' LEU . 2.7 pt? -104.16 -21.98 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.9 m -101.43 -39.06 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.92 15.22 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.85 120.33 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -83.02 143.56 46.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.786 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.62 114.13 3.4 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.555 2.17 . . . . 0.0 112.166 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 m -134.75 128.99 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.336 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.34 27.35 9.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -78.53 130.16 72.12 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.821 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.64 149.22 90.78 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.229 1.953 . . . . 0.0 111.957 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.97 -13.02 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.77 -26.58 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 -22.99 21.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD12 HD13 ' A' ' 38' ' ' ILE . 9.5 tp -66.77 -30.67 70.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.01 -35.26 79.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.86 -23.8 67.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 HD12 ' A' ' 35' ' ' LEU . 77.9 mt -67.81 -52.06 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.53 -70.51 0.18 Allowed 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.297 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.98 -30.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.451 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -65.11 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 35.4 m-85 -77.32 -21.79 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -63.16 -39.94 96.11 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 41' ' ' ALA . 22.1 m -72.29 -33.59 46.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.249 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 26.8 m-85 -61.65 -18.23 58.67 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.096 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.57 92.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.669 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -50.83 -40.21 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.071 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.65 -20.28 54.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.681 0.276 . . . . 0.0 111.605 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.02 13.6 20.47 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.98 -2.51 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.711 0.291 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -21.42 46.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.608 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -112.47 129.29 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 21.9 mt -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.394 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -103.73 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.106 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HB3' HD13 ' A' ' 74' ' ' LEU . 25.1 mtmm -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.5 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -75.16 -47.42 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.21 -19.65 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.16 -20.33 76.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.771 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.4 m -84.98 -27.43 26.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.125 0.488 . . . . 0.0 110.065 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.21 -44.44 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.256 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.86 -48.93 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.742 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.87 -32.2 63.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 111.089 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.9 t -56.5 -38.1 71.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.35 -19.96 48.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.845 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.54 18.98 5.13 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.482 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 81.1 m-85 -121.06 106.59 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.768 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.6 mtp -90.8 107.68 22.31 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.142 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 95.1 Cg_endo -86.16 136.7 5.0 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.573 2.182 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.457 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 39.0 m-80 -78.97 177.18 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.75 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 0.0 111.244 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.01 -20.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.39 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.1 mm-40 -75.26 -47.99 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.601 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.0 pp -61.36 -13.94 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.545 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' N ' HD11 ' A' ' 74' ' ' LEU . 46.4 mt-10 -83.63 -27.65 28.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.795 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' HA ' HE21 ' A' ' 79' ' ' GLN . 19.0 m -89.44 -19.5 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.7 mt -81.13 -46.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 55' ' ' LYS . 19.4 mm -67.09 -17.68 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' A' ' 76' ' ' VAL . 25.4 pt20 -84.72 -9.66 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 16.5 mmm180 -82.03 -31.12 31.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 81' ' ' LEU . 5.7 mp -99.71 -40.09 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.432 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.94 82.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.016 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 84' ' ' ASP . 24.9 ptt? -61.53 -47.96 83.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.651 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 83' ' ' MET . 11.2 p-10 -71.2 -28.1 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 111.302 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.21 45.69 8.7 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.416 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 5.3 p-10 -88.54 10.38 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 0.0 110.75 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.29 -13.5 33.08 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.415 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -133.89 154.75 50.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.6 t -97.71 128.53 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.03 149.94 23.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -48.72 -54.74 13.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.705 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.583 ' HA ' HG23 ' A' ' 95' ' ' VAL . 41.7 mt-10 -53.31 -53.09 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 111.583 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.98 -22.79 11.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.739 0.304 . . . . 0.0 111.252 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.2 -41.96 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 92' ' ' GLU . 32.8 m -58.14 -32.15 43.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.6 m -82.31 -45.51 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 111.684 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 81.5 mt -59.24 -26.72 65.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.427 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -98.66 -12.44 21.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.8 -125.07 4.92 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.577 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.249 1.075 0 C-N-CA 122.458 2.105 . . . . 0.0 112.277 -179.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 25.7 ttt . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 92.7 Cg_endo -83.65 40.97 0.97 Allowed 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.105 1.87 . . . . 0.0 112.816 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -108.61 -34.22 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.53 135.33 23.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.49 113.98 3.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.318 2.012 . . . . 0.0 112.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -116.6 90.22 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.6 p -99.34 -48.42 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.71 128.03 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.22 60.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.225 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.25 128.81 53.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -109.13 150.73 27.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.35 7.53 9.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 53.63 29.08 8.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.7 137.86 0.2 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.4 tp -125.61 126.86 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.039 0.447 . . . . 0.0 111.087 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 57.81 56.06 5.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 m 62.09 -83.49 0.02 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.579 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.68 139.89 97.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.25 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.88 -55.28 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.81 2.34 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -157.99 55.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.78 14.78 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.062 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 23' ' ' SER . 3.9 pp -70.03 -25.82 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' N ' HD12 ' A' ' 22' ' ' LEU . 44.6 t -109.59 -3.78 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.11 -3.22 29.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.3 -14.3 62.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.7 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -70.91 159.27 86.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.638 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.57 52.71 3.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.579 2.186 . . . . 0.0 112.452 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -103.78 174.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.537 ' H ' HG12 ' A' ' 28' ' ' VAL . 27.7 t70 71.81 155.95 0.16 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.131 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.04 132.59 50.0 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.441 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.59 150.84 63.78 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.574 2.182 . . . . 0.0 112.36 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 38.7 tt0 -36.49 -45.8 0.52 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -45.7 -69.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.759 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.586 HD12 HD13 ' A' ' 38' ' ' ILE . 14.1 tp -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -54.79 -37.27 65.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -55.02 -37.75 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.586 HD13 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -66.31 -56.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 6.3 mtp180 -59.77 -69.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.259 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -38.46 -30.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.26 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -66.6 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.4 m-85 -75.87 -27.68 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 41' ' ' ALA . 21.1 m -68.25 -33.78 62.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 24.8 m-85 -57.92 -18.14 21.22 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.459 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -68.91 92.27 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -55.4 -44.65 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.985 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.05 -15.57 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.436 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.72 24.74 54.23 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.809 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.18 -8.89 56.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.64 65.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.462 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.04 130.22 53.09 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.175 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 38.0 mt -93.26 105.78 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.837 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 71.6 m -65.23 177.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HB3' HD12 ' A' ' 74' ' ' LEU . 3.6 mppt? -65.05 -47.26 77.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.65 -34.67 76.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.46 -48.42 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.9 -19.5 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.75 -22.55 73.7 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.417 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 55.5 m -83.99 -27.71 28.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.096 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.29 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.181 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.5 ' HE1' HG23 ' A' ' 77' ' ' ILE . 23.8 mmt -69.31 -47.84 63.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.414 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 10.8 ptm180 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 t -53.73 -34.24 58.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -85.28 -18.75 32.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.42 20.9 4.55 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.732 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -122.0 104.45 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 88.8 mmm -80.24 111.14 19.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -87.16 129.77 2.86 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.551 2.167 . . . . 0.0 112.415 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -75.98 -177.86 4.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.21 -35.61 81.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.04 -25.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.412 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.84 -57.93 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.512 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.99 -14.31 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.564 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' HG2' HD13 ' A' ' 74' ' ' LEU . 22.8 mm-40 -83.13 -31.92 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.515 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -89.49 -23.71 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 111.628 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.5 HG23 ' HE1' ' A' ' 62' ' ' MET . 6.7 mt -81.13 -30.63 11.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.279 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.557 HG13 ' HG3' ' A' ' 55' ' ' LYS . 26.5 mm -85.24 -22.79 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.755 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -74.5 -16.86 60.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.1 -45.02 43.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 81' ' ' LEU . 5.3 mp -80.23 -43.15 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.25 80.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.039 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.8 mtp -71.45 -48.62 48.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.704 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 16.7 p-10 -68.05 -20.85 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.522 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 37.7 30.5 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.326 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.9 p-10 -80.66 -19.84 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.13 -24.94 11.92 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 47.0 mt-30 -126.56 167.78 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.84 122.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.386 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -86.8 149.76 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -50.17 -50.34 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.3 mt-10 -54.23 -50.59 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.669 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.99 -25.63 63.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.872 0.368 . . . . 0.0 111.033 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 38.5 t80 -81.64 -51.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 92' ' ' GLU . 4.9 m -54.63 -36.79 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.481 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -61.05 -51.27 69.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.683 0.278 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 pp -77.4 -5.38 49.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -102.01 17.99 21.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.67 -171.71 21.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.248 1.016 0 C-N-CA 122.403 2.069 . . . . 0.0 112.353 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.42 109.85 0.71 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.294 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -103.88 -15.7 15.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -100.62 101.76 16.58 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.2 142.09 78.61 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.285 1.99 . . . . 0.0 112.217 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t 57.78 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.351 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.6 m -71.18 -57.49 4.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 110.95 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -63.57 1.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp 58.34 -85.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.3 ptp -151.15 133.22 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.18 -33.47 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 52.0 77.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.24 -50.18 0.02 OUTLIER Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.792 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -92.12 151.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.71 0.29 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -109.48 57.73 0.61 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.4 p -64.66 119.82 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.029 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -95.56 153.67 39.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.17 -60.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.492 2.128 . . . . 0.0 112.826 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -149.85 -43.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.686 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.44 15.43 7.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.509 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.81 -13.06 60.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -106.66 -18.78 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -117.71 34.77 4.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.98 13.68 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.76 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.03 156.48 57.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.38 46.74 2.2 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.677 2.251 . . . . 0.0 112.766 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -98.74 149.17 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 56.73 70.75 0.62 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -102.86 132.82 20.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 33' ' ' ASP . 9.4 Cg_endo -52.2 152.1 15.68 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.853 2.369 . . . . 0.0 111.575 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -3.92 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.988 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.5 t70 -52.92 -33.25 49.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.992 0.425 . . . . 0.0 110.043 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -20.22 23.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 38' ' ' ILE . 2.9 tm? -63.46 -48.21 78.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.48 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 43.9 mt-10 -70.46 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.343 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -85.67 -22.52 27.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.428 ' HB ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mt -59.51 -57.29 12.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 110.41 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 9.9 ptm180 -62.21 -44.5 96.43 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.642 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 23.0 mm-40 -38.78 -36.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 111.025 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -73.39 -73.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 13.4 m-85 -70.16 -44.96 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -49.49 -47.62 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -61.51 -35.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.582 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.7 m-85 -56.4 -18.98 12.75 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.708 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.18 110.31 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.966 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -74.05 -32.99 63.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.901 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.21 -13.35 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.18 18.53 20.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.957 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -75.37 -1.46 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.89 -8.06 80.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 13.4 m-85 -116.03 151.81 34.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.06 134.72 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -99.1 -178.26 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.611 ' HB3' HD12 ' A' ' 74' ' ' LEU . 43.9 mtmt -65.51 -47.12 77.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.077 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.42 -28.49 70.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.8 -54.6 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.97 -20.44 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.334 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.97 -20.52 72.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.705 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -90.22 -24.53 20.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.045 0.45 . . . . 0.0 110.312 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.03 -42.18 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 mmt -66.97 -45.85 76.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.574 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.17 -29.1 67.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.0 t -58.95 -38.13 78.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.02 -18.41 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.24 10.95 9.25 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.614 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.29 90.63 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.96 112.15 16.6 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.6 138.67 5.42 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.587 2.191 . . . . 0.0 112.201 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -72.96 170.47 14.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.39 -14.12 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.07 0.462 . . . . 0.0 110.05 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.64 -27.49 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.671 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.13 -54.15 7.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.909 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.611 HD12 ' HB3' ' A' ' 55' ' ' LYS . 1.1 pp -52.69 -19.11 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' HG3' HD13 ' A' ' 74' ' ' LEU . 47.6 mt-10 -78.54 -35.68 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.356 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.428 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 32.7 m -87.23 -20.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.58 -43.12 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.741 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.0 mm -66.43 -23.94 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.85 -10.88 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.889 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -80.63 -29.58 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.31 -45.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.68 84.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtt -71.15 -32.7 69.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.69 -23.6 64.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.25 35.69 77.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.67 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.23 16.79 20.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.44 1.91 53.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.432 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.0 mt-30 -141.45 150.08 41.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.0 131.08 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.32 157.25 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' O ' HG11 ' A' ' 95' ' ' VAL . 33.5 t80 -51.12 -54.06 28.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.608 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 95' ' ' VAL . 47.3 mt-10 -47.51 -59.46 3.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.767 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.45 -25.34 3.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.756 0.312 . . . . 0.0 111.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -90.37 -25.49 20.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 92' ' ' GLU . 2.7 m -72.67 -33.82 45.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.719 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.4 m -79.56 -48.2 14.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.638 0.256 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.86 -23.18 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 tt -99.23 -16.55 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.62 68.13 0.5 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.59 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.45 2.1 . . . . 0.0 112.24 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.606 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 66.5 mtt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD2' ' H1 ' ' A' ' 1' ' ' MET . 95.7 Cg_endo -79.02 138.81 14.75 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.033 1.822 . . . . 0.0 112.325 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -103.47 -0.99 29.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.74 148.5 36.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.89 110.19 2.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.375 2.05 . . . . 0.0 112.395 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -136.6 -23.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 m 62.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.266 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.07 155.17 28.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -9.94 59.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.9 mt 56.15 -169.61 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.189 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -161.29 176.57 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.84 -60.34 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -83.92 -166.9 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.86 -141.5 10.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.331 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.8 tp -170.15 124.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 50.18 -157.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.378 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.3 m 65.0 93.1 0.07 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.377 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -88.56 127.86 54.97 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.12 -53.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.573 2.182 . . . . 0.0 113.259 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -104.61 117.9 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -153.67 3.4 0.28 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -78.16 -29.29 48.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.4 p -67.9 -9.48 45.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -117.09 -33.36 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -156.48 130.5 8.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -94.63 154.27 40.07 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.783 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.76 8.54 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.383 . . . . 0.0 112.847 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.5 m -92.67 134.76 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.14 83.84 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.4 mm -96.42 130.07 31.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.37 148.56 43.48 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.323 2.016 . . . . 0.0 112.125 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -50.75 -17.64 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.674 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.43 -37.55 83.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.487 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -83.78 -23.32 31.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 120.805 0.336 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.91 -29.68 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.414 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.41 -28.93 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.21 -23.0 61.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.57 -52.36 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mpt_? -61.75 -68.48 0.32 Allowed 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.64 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.05 -78.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.467 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -75.62 -19.67 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -67.21 -40.08 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.567 0.222 . . . . 0.0 111.225 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -71.61 -36.72 60.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 29.0 m-85 -58.91 -18.17 30.92 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.584 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -74.43 100.37 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -67.03 -37.98 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.834 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.85 -16.31 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 111.349 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.52 20.52 24.0 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.146 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -2.89 40.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.36 -20.67 49.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.774 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.83 131.48 55.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 6.7 mt -95.71 112.78 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.441 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.452 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 58.3 m -72.88 -179.15 3.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.8 mppt? -65.18 -50.58 65.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.75 -34.31 69.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -47.48 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.586 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -59.93 -27.41 66.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.121 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.0 -19.96 61.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.5 m -84.32 -31.67 24.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.066 0.46 . . . . 0.0 110.191 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.39 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.138 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.28 -52.58 64.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -58.83 -29.13 66.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.292 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.769 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.47 -18.06 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.74 14.41 7.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.88 90.68 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.657 0.265 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -71.89 111.99 12.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -87.7 135.33 3.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.619 2.213 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 36.9 m-80 -75.48 175.69 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.59 -29.35 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.34 -23.97 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.8 mm-40 -70.79 -53.88 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.8 -14.24 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.513 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' A' ' 74' ' ' LEU . 43.2 mm-40 -85.45 -33.85 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.144 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.4 m -86.95 -26.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.577 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.7 mt -80.91 -25.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 111.062 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.564 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.0 mm -84.64 -24.93 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.664 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -77.76 -17.31 57.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.816 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -74.64 -43.54 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mt -81.91 -39.52 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.625 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.46 83.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.753 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.3 mtt -77.79 -46.36 21.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.664 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 12.3 p-10 -68.65 -20.93 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.01 42.19 16.63 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.427 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.42 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.7 p-10 -90.59 -8.97 48.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.87 0.335 . . . . 0.0 111.176 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.14 -27.79 18.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 48.4 mt-30 -122.48 161.31 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.32 128.31 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.426 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.48 151.35 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -49.38 -54.65 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.575 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 95' ' ' VAL . 42.4 mt-10 -47.58 -59.9 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.68 -33.05 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -88.53 -24.16 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -70.43 -28.93 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.502 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.1 m -84.89 -41.05 16.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.83 -30.2 32.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.484 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.63 -10.72 16.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.789 0.328 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.09 -111.1 1.82 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.563 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.433 2.089 . . . . 0.0 112.248 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.519 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.332 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.519 ' HD3' ' H3 ' ' A' ' 1' ' ' MET . 90.9 Cg_endo -79.61 124.73 5.87 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.575 2.184 . . . . 0.0 112.499 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -67.35 -20.96 65.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -97.05 143.13 25.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.81 115.25 3.79 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.541 2.161 . . . . 0.0 112.441 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.52 -2.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.284 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 m -136.18 135.62 39.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.211 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.9 125.68 31.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -6.31 53.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.34 -63.28 1.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.41 ' H ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -86.68 129.87 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.782 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -90.72 -12.63 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.219 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -144.99 158.2 43.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.41 -75.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.209 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HD11 ' O ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -127.7 153.75 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 120.626 0.251 . . . . 0.0 110.734 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -153.44 131.88 12.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 m -91.36 82.48 5.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.26 149.03 97.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.78 -55.27 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.436 2.091 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -175.13 65.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.37 12.33 20.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.589 ' H ' HD22 ' A' ' 22' ' ' LEU . 2.7 pt? -96.43 -36.16 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.672 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -110.32 15.01 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.3 1.41 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -78.5 -98.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -71.87 138.63 82.56 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.785 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.5 5.8 3.53 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.09 99.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.424 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 179.46 95.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 34' ' ' GLU . 34.7 mm -86.2 131.07 47.52 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.76 148.59 91.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.433 2.089 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.28 -17.29 0.68 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.806 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 17.2 t70 -55.88 -31.47 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -90.74 -20.25 22.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.762 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.95 -38.35 79.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 33' ' ' ASP . 11.3 pt-20 -57.57 -27.98 63.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 110.754 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.85 -33.52 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -62.1 -48.93 86.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.559 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 39.8 mtp180 -63.25 -61.9 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -39.21 -29.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -70.93 -81.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.534 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 11.0 m-85 -74.58 -27.18 60.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 2.8 tppt? -64.18 -39.79 94.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' ALA . 32.9 m -68.74 -33.34 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.534 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.4 m-85 -58.96 -18.15 31.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.17 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -77.78 94.15 4.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.899 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -55.83 -35.97 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.59 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.06 -20.11 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.7 19.24 19.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.768 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -72.79 -2.04 18.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.41 -6.17 65.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.661 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -126.1 144.17 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.505 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.7 mt -108.0 124.02 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.247 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -85.55 179.23 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HG3' HG13 ' A' ' 78' ' ' ILE . 4.0 mppt? -63.94 -50.42 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.329 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -58.25 -37.22 74.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -74.14 -45.98 45.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.917 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 58' ' ' LEU . 2.6 tm? -59.84 -26.19 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.02 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.57 -18.65 63.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.737 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 36.3 m -90.31 -22.23 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.27 34.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.962 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.442 ' HG2' HD11 ' A' ' 58' ' ' LEU . 93.8 mmm -64.48 -42.17 96.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.625 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' LEU . 4.4 ptm180 -59.33 -23.27 62.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.87 0.367 . . . . 0.0 110.6 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.4 t -75.45 10.34 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.691 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' ARG . 25.8 mt -120.23 -20.66 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 18.77 5.01 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.073 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 115.75 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.572 0.225 . . . . 0.0 110.554 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -100.34 100.58 12.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.367 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.5 150.44 24.92 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.426 2.084 . . . . 0.0 112.209 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.471 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 24.3 p30 -98.8 -169.83 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.286 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.89 -44.36 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.32 -19.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 70' ' ' ASN . 12.9 mm-40 -72.98 -56.58 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 74' ' ' LEU . 43.9 mt-10 -81.72 -36.84 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.563 0.22 . . . . 0.0 111.58 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 31.1 m -83.32 -25.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 111.748 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -80.92 -28.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.429 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.607 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.9 mm -83.98 -25.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.929 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.2 pt20 -76.12 -9.44 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -76.03 -49.99 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.831 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 81' ' ' LEU . 7.0 mp -81.72 -40.97 21.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.65 81.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 17.5 ptp -77.23 -41.81 39.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.718 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.59 -22.61 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.002 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.39 37.86 40.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.607 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.982 0.391 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.2 -21.21 20.33 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.82 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -127.05 155.53 43.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.25 122.88 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.46 150.13 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -46.68 -53.15 12.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.835 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' O ' HG12 ' A' ' 95' ' ' VAL . 40.9 mt-10 -49.76 -54.73 17.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.911 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.61 -36.27 45.11 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -88.77 -18.45 27.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -76.61 -26.68 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.103 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.9 m -83.84 -42.67 16.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.91 -14.4 63.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tt -110.99 -28.63 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.42 74.4 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.397 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.618 2.212 . . . . 0.0 112.168 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.464 0.174 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.44 131.67 11.76 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.442 2.095 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.87 -18.81 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.766 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -83.99 126.17 70.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.38 134.73 60.51 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.355 2.037 . . . . 0.0 112.232 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.97 155.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 m -105.85 88.88 2.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.62 49.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.23 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB1' HD11 ' A' ' 10' ' ' LEU . . . -85.31 -38.35 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 HD11 ' HB1' ' A' ' 9' ' ' ALA . 5.2 mp -107.69 132.25 53.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.746 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtt -121.25 29.4 7.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -82.74 -42.5 17.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -69.71 -24.41 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.42 28.56 6.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.655 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 tt -162.58 147.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -76.46 148.34 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.901 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -91.92 -40.08 11.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.641 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 ' HB ' HD21 ' A' ' 21' ' ' LEU . 30.4 m -59.2 145.63 80.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.15 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.85 -60.62 0.71 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.373 2.048 . . . . 0.0 112.427 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' SER . 20.5 p-10 -178.82 50.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.262 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.494 HD21 ' HB ' ' A' ' 18' ' ' VAL . 4.0 mm? -76.18 -15.57 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 pp -101.82 -3.54 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 20' ' ' ASN . 44.0 t -100.89 -59.66 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 26' ' ' ARG . 11.1 mm-40 -117.49 -36.78 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.302 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 69.95 -13.79 0.4 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.016 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.505 ' HG3' HG21 ' A' ' 28' ' ' VAL . 15.6 ptm180 -75.42 135.38 72.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -87.86 74.98 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.738 2.292 . . . . 0.0 112.628 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG21 ' HG3' ' A' ' 26' ' ' ARG . 17.8 m -139.58 173.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.148 0.499 . . . . 0.0 111.675 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -128.69 136.35 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.452 HG23 ' HG3' ' A' ' 34' ' ' GLU . 38.7 mm -93.46 112.91 58.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.53 151.04 75.62 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.55 2.167 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -40.08 -40.48 1.08 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.077 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' OE1' ' A' ' 34' ' ' GLU . 16.1 m-20 -46.3 -58.21 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.609 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -71.3 -24.06 62.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.676 0.274 . . . . 0.0 110.66 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 HD12 ' A' ' 38' ' ' ILE . 59.6 tp -64.77 -34.92 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.495 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.95 -33.37 68.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.393 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.23 -31.31 72.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.611 HD12 HD12 ' A' ' 35' ' ' LEU . 18.6 mt -68.52 -46.59 79.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -69.79 -70.38 0.29 Allowed 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -39.2 -31.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.715 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.18 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.7 m-85 -78.06 -26.7 48.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 2.9 tppt? -61.46 -39.07 89.54 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.392 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 41' ' ' ALA . 18.3 m -71.78 -34.63 52.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.991 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.514 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 21.2 m-85 -56.28 -18.4 10.49 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.474 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.93 92.6 0.1 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.853 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.86 -45.3 74.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.02 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.56 -20.1 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.527 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.7 19.68 58.6 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.141 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.86 -7.01 18.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.939 0.399 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.72 -10.43 59.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -125.67 145.6 50.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.141 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 23.2 mt -104.07 116.12 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 111.226 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.487 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 41.1 t -79.9 179.48 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.473 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.9 mppt? -61.32 -59.59 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.84 56.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.696 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.55 -47.74 45.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.586 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.463 ' HB2' HD13 ' A' ' 78' ' ' ILE . 0.7 OUTLIER -59.69 -25.3 64.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.775 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.99 -21.75 73.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.88 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.0 m -80.77 -27.09 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -51.57 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.143 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.68 -53.26 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.814 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -53.86 -34.89 60.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.389 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -54.47 -36.84 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.687 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -81.61 -18.43 44.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.74 21.74 4.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.429 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 68.4 m-85 -127.78 102.91 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.692 0.282 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.32 109.51 23.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.137 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -89.33 143.02 4.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.662 2.241 . . . . 0.0 112.298 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -91.96 179.55 5.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.483 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.4 pt-20 -58.9 -23.2 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.02 -21.72 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -88.18 -54.76 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -54.44 -15.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.576 0.227 . . . . 0.0 111.595 -178.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' N ' HD21 ' A' ' 74' ' ' LEU . 38.5 mt-10 -80.75 -47.35 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.476 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' A' ' 80' ' ' ARG . 32.1 m -69.89 -21.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.67 -27.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG13 ' HA ' ' A' ' 55' ' ' LYS . 10.2 mm -81.6 -25.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.641 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.414 HE21 ' HA ' ' A' ' 76' ' ' VAL . 28.7 pt20 -80.58 -9.7 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.454 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.509 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 1.3 mmp_? -79.4 -32.61 42.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 89' ' ' VAL . 6.2 mt -99.01 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.54 82.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.921 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 mtp -76.04 -40.29 53.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.541 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -69.07 -24.6 64.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.735 0.302 . . . . 0.0 111.518 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.28 46.04 6.72 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.536 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.9 9.62 43.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.0 110.694 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.32 -16.6 7.34 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -129.09 161.61 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG21 HD13 ' A' ' 81' ' ' LEU . 47.5 t -92.7 126.26 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.14 149.87 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.434 ' HD1' ' HZ3' ' A' ' 43' ' ' LYS . 23.2 t80 -49.15 -56.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.739 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.593 ' HA ' HG23 ' A' ' 95' ' ' VAL . 44.6 mt-10 -52.22 -55.63 19.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 111.887 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.4 -24.61 12.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.56 -34.93 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.593 HG23 ' HA ' ' A' ' 92' ' ' GLU . 33.4 m -65.5 -31.62 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.413 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.53 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 58.0 m -76.56 -46.55 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.334 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.02 -14.96 58.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.3 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 98' ' ' LEU . 7.3 tt -108.22 -24.55 11.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.15 100.45 1.11 Allowed Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.673 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.53 ' HD3' ' HA ' ' A' ' 96' ' ' THR . 60.5 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 122.38 2.053 . . . . 0.0 112.38 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . 58.3 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.523 0.202 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.516 ' HD3' ' H1 ' ' A' ' 1' ' ' MET . 96.3 Cg_endo -84.7 0.72 8.93 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.676 2.251 . . . . 0.0 112.606 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -103.07 10.89 37.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.015 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -61.12 155.94 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.68 155.23 43.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.4 2.067 . . . . 0.0 112.119 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 m -115.74 134.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.484 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 m 58.64 -86.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.516 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.12 117.06 3.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.73 67.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.2 tp -93.2 88.33 6.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.605 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 16.8 tpt -123.54 152.23 42.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -62.13 -14.19 34.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.277 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.605 ' H ' ' HG3' ' A' ' 11' ' ' MET . 15.9 ptm180 -162.04 147.8 13.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.97 -150.31 7.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 tp -144.06 145.4 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.762 0.315 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -108.4 160.34 15.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -145.63 -30.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 m -100.07 122.11 51.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 11.6 Cg_endo -88.48 -59.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.852 2.368 . . . . 0.0 112.352 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -130.2 94.63 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -131.69 -5.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' N ' HD13 ' A' ' 21' ' ' LEU . 2.6 pt? -62.04 -24.76 67.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.7 t -110.12 -51.62 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.85 -18.18 64.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 61.43 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.35 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -54.36 152.49 11.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.047 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -81.52 32.45 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.705 2.27 . . . . 0.0 112.752 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.17 164.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -178.16 161.34 1.47 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.0 mm -60.96 136.69 93.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -49.77 150.54 9.15 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.821 2.348 . . . . 0.0 112.559 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.66 -14.59 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.084 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.29 -52.17 22.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.502 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.1 -18.93 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.321 . . . . 0.0 111.009 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD12 HD12 ' A' ' 38' ' ' ILE . 5.7 tp -77.67 -32.19 52.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.584 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.02 -37.59 85.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.537 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.4 -29.66 70.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.421 HD12 HD12 ' A' ' 35' ' ' LEU . 19.0 mt -64.7 -39.93 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.007 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 24.8 mtp180 -63.55 -69.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -38.97 -31.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.01 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.52 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 45.8 m-85 -76.47 -25.87 54.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' A' ' 91' ' ' PHE . 2.4 tppt? -61.52 -36.73 81.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.463 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 41' ' ' ALA . 26.9 m -74.44 -34.25 35.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.075 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.52 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 37.3 m-85 -61.52 -18.02 57.33 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.158 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.97 87.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.825 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.72 -36.24 62.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.871 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -78.33 -20.34 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.305 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.14 16.56 19.82 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.782 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.493 HD21 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -73.0 -0.84 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.668 0.271 . . . . 0.0 111.269 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 -17.58 58.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.652 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.493 ' H ' HD21 ' A' ' 50' ' ' ASN . 3.1 m-85 -114.36 150.7 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.4 mt -118.7 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.395 . . . . 0.0 111.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -82.3 -179.19 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.595 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.549 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 3.8 mppt? -65.42 -49.57 68.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.36 -45.25 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.13 -27.47 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.077 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.42 -20.77 67.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.5 m -86.33 -25.07 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -47.89 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.426 ' HE1' HG21 ' A' ' 77' ' ' ILE . 25.9 mmt -62.67 -51.02 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.699 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -53.68 -33.15 54.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 111.077 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -58.47 -41.03 84.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.28 -19.27 58.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.04 16.41 5.78 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.42 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.453 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 84.3 m-85 -121.3 100.63 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.598 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -85.79 108.68 17.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -88.74 136.78 3.21 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.93 175.32 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.689 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.62 -26.11 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -89.81 -23.53 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -74.8 -55.02 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.519 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 55' ' ' LYS . 2.4 pp -53.27 -16.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.687 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 74' ' ' LEU . 17.1 mm-40 -78.01 -37.37 47.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.555 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG22 HD13 ' A' ' 77' ' ' ILE . 18.0 m -90.23 -38.34 10.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.426 HG21 ' HE1' ' A' ' 62' ' ' MET . 1.8 mp -58.22 -38.33 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.493 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -69.19 -30.4 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.778 -179.387 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 77.5 mt-30 -71.42 -12.94 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.568 0.223 . . . . 0.0 111.497 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.82 -31.91 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.27 -37.06 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.227 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.11 87.88 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.404 ' HE1' HD13 ' A' ' 97' ' ' LEU . 25.3 mmt -65.94 -59.88 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.849 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -68.6 -21.86 64.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.428 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.24 44.43 13.54 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.491 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.13 12.99 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 110.535 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.8 -16.14 16.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.375 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 52' ' ' PHE . 40.8 mt-30 -128.86 160.23 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.667 0.27 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.04 129.47 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.294 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -87.95 154.44 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.484 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 34.1 t80 -50.27 -57.12 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.802 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.4 mt-10 -45.48 -58.47 3.35 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.17 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.87 -28.52 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -88.37 -24.77 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 92' ' ' GLU . 1.8 m -69.48 -30.97 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.654 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 m -81.14 -46.05 15.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.652 0.263 . . . . 0.0 111.502 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 HD13 ' HE1' ' A' ' 83' ' ' MET . 90.7 mt -62.65 -22.26 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt -105.27 -16.71 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.54 176.35 43.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.496 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo . . . . . 0 C--O 1.248 1.012 0 C-N-CA 122.633 2.222 . . . . 0.0 112.309 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.553 0.216 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.95 156.13 40.51 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.475 2.117 . . . . 0.0 112.231 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -73.25 -6.92 49.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.25 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.7 149.97 96.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.58 155.46 45.01 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 6' ' ' VAL . 9.3 p -102.76 23.77 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.215 0.531 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.6 m -58.53 110.38 0.97 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 -175.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.1 -70.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.223 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' LEU . 2.1 mm? -100.46 -79.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.9 tpt 64.32 4.16 2.07 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -90.24 -57.63 2.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -115.07 157.03 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.27 38.99 2.64 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.747 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.46 140.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -157.5 90.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.8 m -61.1 109.84 2.47 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.32 -53.62 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.692 2.261 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -137.58 105.27 5.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -135.94 4.76 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.585 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.576 ' H ' HD21 ' A' ' 22' ' ' LEU . 1.9 pt? -71.18 -38.19 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.409 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 56.6 m -107.15 5.44 27.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.986 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 1.8 mp0 -104.35 35.66 2.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.04 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 67.14 115.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.232 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -98.79 153.67 37.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.42 117.24 4.69 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.521 2.147 . . . . 0.0 112.228 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.82 169.34 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 60.2 -170.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mm -84.78 130.47 52.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.796 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 33' ' ' ASP . 23.0 Cg_endo -61.12 150.35 84.8 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.385 2.057 . . . . 0.0 112.236 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -48.6 -12.61 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.964 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' PRO . 15.4 t70 -53.87 -32.01 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.603 0.239 . . . . 0.0 110.986 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.92 -22.79 29.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.864 0.364 . . . . 0.0 110.775 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 HD13 ' A' ' 38' ' ' ILE . 5.4 tp -63.97 -33.77 76.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.408 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.31 -29.0 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.34 -32.61 72.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.418 HD13 HD12 ' A' ' 35' ' ' LEU . 10.5 mt -66.74 -58.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.283 0.563 . . . . 0.0 110.767 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -60.99 -61.87 2.27 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.45 -33.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 111.559 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' O ' HG21 ' A' ' 44' ' ' VAL . . . -66.45 -82.71 0.03 OUTLIER 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 42.2 m-85 -78.43 -25.89 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -61.78 -39.25 91.01 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.063 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 41' ' ' ALA . 28.4 m -69.89 -34.96 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 C-N-CA 120.194 -0.603 . . . . 0.0 110.899 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.5 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 30.3 m-85 -58.52 -17.99 25.72 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.447 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.21 88.68 1.15 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.769 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -53.88 -42.67 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.63 -19.27 53.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.225 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.24 25.99 60.88 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.29 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -74.01 -10.05 59.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.867 0.334 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.93 -20.56 31.12 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.638 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.51 140.62 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.267 . . . . 0.0 110.421 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 28.2 mt -99.89 113.35 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.264 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 33.5 t -71.13 177.92 3.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.655 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.8 mppt? -62.05 -57.16 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.516 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.32 -31.67 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.729 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.67 -48.65 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.783 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.74 -21.62 64.68 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.17 -22.66 70.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.849 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.526 HG23 HH21 ' A' ' 63' ' ' ARG . 85.0 m -81.38 -32.08 33.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.2 0.524 . . . . 0.0 109.739 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.35 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.244 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.6 -51.44 59.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.833 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.526 HH21 HG23 ' A' ' 60' ' ' THR . 40.5 ptt180 -55.83 -31.58 62.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.727 0.298 . . . . 0.0 110.992 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 t -55.03 -34.8 63.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.65 -19.32 52.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.87 13.16 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.439 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 76.0 m-85 -117.98 103.62 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.638 0.256 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.5 mtt -87.52 108.9 22.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 69.8 Cg_endo -89.62 144.6 4.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.56 171.94 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.401 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HA ' HD22 ' A' ' 74' ' ' LEU . 10.1 pt-20 -61.22 -19.67 61.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -19.67 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.22 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.2 mm-40 -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.298 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.1 pt? -56.38 -14.43 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 111.388 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' N ' HD21 ' A' ' 74' ' ' LEU . 46.0 mt-10 -84.92 -33.92 22.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.275 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.3 m -84.09 -20.6 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.788 0.328 . . . . 0.0 111.57 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 HD11 ' HA ' ' A' ' 74' ' ' LEU . 7.3 mt -80.71 -25.92 11.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.598 HG13 ' HG3' ' A' ' 55' ' ' LYS . 15.8 mm -74.92 -29.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.815 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -78.46 -9.18 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.576 0.227 . . . . 0.0 111.41 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -79.34 -34.05 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.43 -36.46 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -73.31 87.64 1.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -54.59 -55.94 24.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.3 p-10 -68.81 -21.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.59 48.4 43.67 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.408 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 4.9 p-10 -87.69 13.16 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 110.782 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.96 -14.47 32.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 45.7 mt-30 -132.86 139.16 47.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.92 129.52 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -91.35 150.24 21.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.241 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.81 -56.57 11.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.831 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.536 ' O ' HG12 ' A' ' 95' ' ' VAL . 44.5 mt-10 -45.82 -56.21 5.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.998 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -48.45 -35.27 12.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.673 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -90.43 -20.47 22.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.91 -28.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.237 -179.411 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 m -83.21 -44.35 15.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.35 -15.53 60.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.7 tt -112.02 -26.27 8.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.54 99.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.508 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.325 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.482 0.182 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.13 148.02 30.53 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.416 2.077 . . . . 0.0 112.435 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -81.09 10.81 4.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -102.45 101.61 20.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.65 164.0 32.92 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.565 2.177 . . . . 0.0 112.389 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.77 -45.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -156.27 -62.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.23 167.06 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -70.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.51 127.35 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.504 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.14 -168.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -56.4 -51.53 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 55.66 79.01 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.57 90.16 1.14 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.355 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -129.89 135.53 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 43.23 75.49 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.514 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -101.44 99.32 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' HB ' HD22 ' A' ' 21' ' ' LEU . 11.8 m -91.66 119.55 68.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.11 -58.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.651 2.234 . . . . 0.0 112.137 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -124.03 105.75 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD22 ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.52 16.8 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.746 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.581 ' H ' HD22 ' A' ' 22' ' ' LEU . 2.7 pt? -107.72 -20.05 13.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.59 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.5 m -82.9 -51.89 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.44 -30.25 30.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.625 ' HG3' ' H ' ' A' ' 26' ' ' ARG . 6.8 tp60 58.48 -173.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.823 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.625 ' H ' ' HG3' ' A' ' 25' ' ' GLN . 16.9 ptm180 -59.0 147.35 74.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.855 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 11.4 Cg_exo -70.55 145.65 53.17 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.717 2.278 . . . . 0.0 112.424 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 m -128.42 168.15 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 61.22 -155.47 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.39 131.15 72.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.155 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.17 147.13 78.45 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.285 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -47.79 -23.72 0.8 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.843 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.26 -41.28 65.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.608 0.242 . . . . 0.0 111.579 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.46 -22.28 35.28 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.958 0.408 . . . . 0.0 110.788 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD12 HD11 ' A' ' 38' ' ' ILE . 18.7 tp -74.53 -33.32 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.37 -33.07 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.68 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -72.71 -35.22 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.625 HD11 HD12 ' A' ' 35' ' ' LEU . 64.1 mt -61.06 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -68.27 -70.42 0.26 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -39.1 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -66.05 -79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.522 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 28.0 m-85 -78.31 -27.44 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -58.24 -39.62 79.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 41' ' ' ALA . 32.7 m -71.56 -36.42 60.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.914 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.522 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 36.4 m-85 -59.72 -18.14 40.34 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.344 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -70.44 89.37 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -51.75 -41.48 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.683 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.06 -20.23 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.45 17.59 33.38 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.059 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -77.59 6.35 7.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 0.0 111.044 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.47 -13.94 65.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.27 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -116.72 138.7 51.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.445 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 31.0 mt -106.67 118.33 54.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -74.87 -179.86 4.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.605 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.619 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.4 mppt? -66.43 -49.04 68.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.94 -37.61 74.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -73.47 -46.26 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.434 ' HG ' HD12 ' A' ' 78' ' ' ILE . 1.4 tm? -60.78 -24.61 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.258 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.97 -19.34 69.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.845 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.412 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 60.8 m -86.48 -28.93 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.04 0.448 . . . . 0.0 110.378 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -43.01 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.316 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 97.4 mmm -67.59 -50.02 60.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 16.3 ptm180 -60.63 -27.87 68.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.108 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.5 t -55.94 -37.61 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.14 -12.34 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.22 16.58 8.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -126.22 93.17 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.408 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -84.1 112.27 39.68 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.24 -179.703 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 5.5 Cg_endo -85.53 151.44 10.31 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.889 2.392 . . . . 0.0 112.106 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -83.84 169.48 15.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.5 -28.81 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.32 -19.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.554 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' O ' HG21 ' A' ' 76' ' ' VAL . 15.8 mm-40 -84.15 -48.74 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.452 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.619 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.7 pp -55.61 -14.32 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.39 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HG3' HD11 ' A' ' 74' ' ' LEU . 47.1 mt-10 -85.77 -38.85 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 73' ' ' GLU . 33.6 m -77.07 -27.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.701 0.286 . . . . 0.0 111.651 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.0 -27.44 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.207 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.558 HG13 ' HG3' ' A' ' 55' ' ' LYS . 8.1 mm -82.07 -22.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.871 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.42 -14.04 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -79.61 -31.61 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 81' ' ' LEU . 7.1 mp -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -70.41 81.68 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.0 mtm -73.08 -43.85 61.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.928 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.18 -21.24 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.11 37.89 27.61 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 113.26 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.2 6.72 45.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.833 0.317 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.68 -18.37 15.71 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -124.73 165.68 17.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 111.008 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.2 t -107.5 129.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -91.63 150.76 21.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -48.82 -51.55 28.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.491 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.594 ' HA ' HG21 ' A' ' 95' ' ' VAL . 42.7 mt-10 -52.72 -53.59 45.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.266 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.96 -22.35 37.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -90.47 -30.04 17.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.594 HG21 ' HA ' ' A' ' 92' ' ' GLU . 33.3 m -74.11 -32.83 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.4 m -76.82 -47.78 20.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.669 0.271 . . . . 0.0 111.499 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.21 -23.34 67.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt -100.55 -17.55 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.99 81.52 0.31 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.486 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.565 2.176 . . . . 0.0 112.418 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.324 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.01 -19.45 61.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.166 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.54 -27.84 56.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.05 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.41 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -38.76 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.92 -82.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -73.77 -20.31 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tppt? -69.23 -40.85 77.68 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.452 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.9 m -66.8 -34.23 68.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.041 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 39.6 m-85 -60.69 -18.24 52.82 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -72.96 96.16 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -60.81 -36.54 79.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.686 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.09 -20.46 52.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.467 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 14.94 16.52 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.788 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.26 -2.9 17.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.5 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.555 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -123.2 150.96 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.738 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 27.2 mt -113.92 121.21 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -85.71 178.2 7.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 22.7 mtmm -60.61 -58.7 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.514 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -52.22 -31.24 31.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.42 -47.5 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.2 tm? -60.46 -28.88 68.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.2 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.36 -20.27 65.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.906 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.48 -22.33 24.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.165 0.507 . . . . 0.0 110.178 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.39 -49.72 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.218 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.5 mtp -59.78 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.609 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -53.9 -32.65 54.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.108 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -58.96 -40.76 85.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.583 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.12 -20.31 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 17.82 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 17.1 m-85 -126.0 92.03 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.508 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -82.51 110.84 24.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.222 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.3 Cg_endo -89.99 148.33 4.73 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.661 2.241 . . . . 0.0 112.444 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -84.35 169.87 14.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HA ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -62.49 -14.95 47.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.135 179.157 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.78 -26.56 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.669 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' VAL . 9.4 mm-40 -90.02 -47.54 7.77 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.581 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -54.4 -14.54 1.26 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.704 0.287 . . . . 0.0 111.426 -178.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 74' ' ' LEU . 47.2 mt-10 -80.7 -38.22 29.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.399 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.9 m -82.12 -19.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.723 0.297 . . . . 0.0 111.714 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.94 -33.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.564 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' HA ' ' A' ' 55' ' ' LYS . 7.7 mm -71.89 -28.81 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.77 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -76.37 -9.7 58.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.744 0.307 . . . . 0.0 110.905 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -79.08 -33.22 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -94.28 -39.99 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.048 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.18 84.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.417 ' HG2' ' OE1' ' A' ' 93' ' ' GLU . 21.3 ptp -77.43 -37.99 50.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.634 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.18 -26.01 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.579 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.2 58.64 2.42 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.239 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -112.38 5.06 17.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.691 0.282 . . . . 0.0 111.101 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.51 -18.82 16.99 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.605 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.29 165.58 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 36.3 t -102.74 132.25 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -93.33 153.19 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.62 -58.38 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.9 mt-10 -46.09 -59.35 2.93 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 83' ' ' MET . 37.8 mt-10 -46.44 -40.95 13.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.866 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 79.3 t80 -84.82 -21.29 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -77.49 -30.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.426 -179.206 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.6 m -75.0 -47.09 30.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.292 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.11 -14.35 62.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.662 0.267 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.0 -25.25 67.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 110.675 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.41 -27.43 60.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.98 -52.23 51.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 10.4 mtp180 -64.51 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.31 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -38.38 -31.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -67.91 -83.68 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 23.9 m-85 -75.05 -19.5 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.0 tppt? -67.43 -38.67 84.91 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -70.18 -34.63 59.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.032 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.0 m-85 -60.82 -18.06 53.37 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.007 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.31 90.1 4.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.609 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -55.3 -34.84 64.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.288 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.46 -19.99 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.364 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.01 12.32 22.04 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.052 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -67.77 -4.72 13.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.689 0.281 . . . . 0.0 111.003 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.93 -19.83 52.66 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.216 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.64 129.71 56.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.68 0.276 . . . . 0.0 110.5 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.8 mt -92.87 134.38 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 111.454 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.8 m -91.83 176.14 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.272 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.59 -50.23 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 111.034 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.59 -38.33 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -43.83 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.73 -26.23 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.866 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.51 -18.2 69.57 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.827 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 37.9 m -87.63 -24.57 23.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.21 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.3 -46.51 55.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.953 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.6 mmm -61.66 -49.42 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 11.5 ptp180 -57.5 -29.69 64.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.05 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 t -57.79 -37.33 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -76.51 -16.38 59.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.64 11.01 8.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.615 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 27.5 m-85 -122.98 94.42 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.664 0.269 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.1 ptm -78.11 111.57 19.33 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.563 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -90.2 144.6 4.14 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.829 2.352 . . . . 0.0 112.171 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.56 179.28 6.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.76 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.23 -19.95 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.349 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.33 -30.57 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.672 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.431 ' O ' HG22 ' A' ' 76' ' ' VAL . 28.0 mm-40 -72.61 -52.81 13.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.695 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 75' ' ' GLU . 2.8 pp -54.16 -16.9 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HG2' HD12 ' A' ' 74' ' ' LEU . 31.8 mm-40 -82.71 -32.84 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -89.1 -22.8 6.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -80.89 -24.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 111.592 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.578 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.1 mm -79.56 -35.25 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.9 pt20 -62.56 -27.43 69.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.526 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.438 ' HB2' HD22 ' A' ' 81' ' ' LEU . 2.9 mmp_? -60.0 -38.92 84.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.352 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 81' ' ' LEU . 2.3 mm? -91.18 -45.63 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.195 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.65 83.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.1 ptp -84.03 -44.28 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.005 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -68.45 -20.69 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.18 57.43 2.65 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.021 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -108.22 4.74 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.11 2.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -130.78 150.06 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.667 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.99 120.72 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -83.71 157.49 22.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.43 -59.78 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.749 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' HA ' HG12 ' A' ' 95' ' ' VAL . 45.6 mt-10 -50.07 -55.93 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.723 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -46.21 -37.59 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -91.04 -23.73 20.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 92' ' ' GLU . 1.3 p -75.7 -26.97 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.5 m -87.55 -47.67 8.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.721 0.295 . . . . 0.0 111.377 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.96 -20.62 58.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.679 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 38' ' ' ILE . 15.6 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.806 0.336 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.96 -34.33 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.27 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.665 HD12 HD12 ' A' ' 35' ' ' LEU . 22.8 mt -68.65 -44.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 12.8 mtp180 -69.09 -68.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.371 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -38.96 -31.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.95 -81.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 5.3 m-85 -74.05 -30.25 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tppt? -58.22 -39.38 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.6 m -71.96 -34.63 51.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 40.8 m-85 -60.57 -17.88 49.08 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -76.54 97.4 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -54.71 -39.85 68.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.945 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.41 -19.4 53.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.77 15.51 27.21 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.802 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -74.59 4.0 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 111.24 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.16 -16.4 58.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.1 m-85 -112.9 136.11 52.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.3 mt -108.4 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.582 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -66.09 -178.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.487 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.6 mppt? -64.58 -55.61 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -51.55 -42.52 61.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.578 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.57 -45.74 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.053 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.13 -26.92 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.008 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.56 -21.7 67.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.02 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.7 m -88.54 -21.77 23.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -46.91 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.084 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmt -63.63 -49.81 71.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.538 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -32.06 63.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.9 t -55.85 -36.5 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.12 -17.11 51.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.88 19.06 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 54.9 m-85 -126.39 90.88 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.2 ptm -85.99 109.93 26.6 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 73.3 Cg_endo -88.65 151.66 6.23 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.751 2.3 . . . . 0.0 112.265 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 74' ' ' LEU . 32.3 m-80 -85.94 171.69 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.687 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.1 pt-20 -60.04 -23.82 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -91.23 -19.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.9 mm-40 -87.59 -55.04 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.2 pt? -54.63 -15.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' HD23 ' A' ' 74' ' ' LEU . 45.4 mt-10 -82.74 -32.57 27.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.529 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.3 m -89.53 -26.99 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.546 HG23 HH21 ' A' ' 80' ' ' ARG . 6.0 mt -73.24 -38.39 54.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.548 HG13 ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.25 -43.59 82.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.471 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -52.11 -41.61 62.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.601 0.238 . . . . 0.0 111.416 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.546 HH21 HG23 ' A' ' 77' ' ' ILE . 62.9 mtm180 -45.99 -38.85 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.555 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.8 mp -91.59 -40.01 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.52 84.34 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mtp -59.99 -48.19 82.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.375 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.48 -21.08 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.61 38.47 68.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.569 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.16 -16.38 53.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.001 0.401 . . . . 0.0 110.496 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.23 -21.74 23.94 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.715 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.6 mt-30 -128.77 133.47 48.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.48 126.93 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.732 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -87.24 154.13 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.02 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 95' ' ' VAL . 19.0 t80 -45.84 -57.97 3.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.968 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' VAL . 45.9 mt-10 -51.44 -51.76 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.784 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.8 -25.3 18.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.783 0.325 . . . . 0.0 111.254 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -90.37 -36.77 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' GLU . 15.9 m -62.7 -30.7 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.536 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.4 m -78.94 -47.02 17.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 0.0 111.479 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -22.93 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.734 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.7 -30.0 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.705 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.3 -29.82 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.218 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -70.7 -49.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.011 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.0 mtp180 -68.0 -70.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.416 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -39.06 -31.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -64.52 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 32.3 m-85 -77.12 -28.33 54.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.2 -40.46 77.47 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.358 -0.137 . . . . 0.0 111.29 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.4 m -73.17 -35.84 48.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 25.2 m-85 -58.41 -18.59 29.3 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.56 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -71.2 90.73 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.099 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 47' ' ' ARG . 20.2 mtm180 -54.87 -40.56 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.619 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.78 -19.33 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.88 19.0 19.99 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.045 -0.597 . . . . 0.0 113.075 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -74.63 0.67 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.763 0.316 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.78 -11.03 66.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.05 143.72 49.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.733 0.302 . . . . 0.0 110.484 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 15.0 mt -109.69 109.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 111.566 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -69.45 -178.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.12 -50.51 67.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 111.517 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.85 -35.88 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.483 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.19 -49.2 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.294 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -19.72 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.87 70.0 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.741 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.6 m -89.99 -21.96 22.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.128 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.164 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.85 -47.52 65.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.669 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -56.96 -26.15 59.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.5 t -60.98 -43.32 99.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.12 -16.64 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.37 9.4 10.42 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 62.9 m-85 -121.53 96.85 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.619 0.247 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -79.88 111.41 21.35 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -89.11 147.79 5.51 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -96.35 -175.24 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.868 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.575 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -86.77 -19.58 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.699 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 mm-40 -85.05 -50.86 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.84 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.5 pp -55.74 -13.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.527 ' HG3' HD12 ' A' ' 74' ' ' LEU . 48.8 mt-10 -87.27 -30.58 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.8 m -90.11 -25.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.92 -22.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.719 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.639 HG13 ' HG3' ' A' ' 55' ' ' LYS . 28.2 mm -90.05 -17.98 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 12.0 pt20 -81.71 -14.03 57.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -82.02 -51.24 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.77 -41.2 68.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.097 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -69.43 82.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mtp -77.6 -45.32 25.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.444 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.1 p30 -68.17 -9.59 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.394 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.06 31.79 80.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.254 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.55 -12.93 60.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 -30.45 10.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.27 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -118.52 174.45 6.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.4 123.55 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.429 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.45 149.36 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.983 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.09 -32.82 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.0 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.7 mt-10 -71.75 -51.49 22.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.359 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.68 -20.46 48.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.332 . . . . 0.0 111.061 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -89.11 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.58 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.8 m -56.48 -32.18 35.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 m -77.92 -46.22 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.711 0.264 . . . . 0.0 111.711 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.73 -18.21 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.676 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.715 0.293 . . . . 0.0 111.243 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 38' ' ' ILE . 5.3 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.628 0.251 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.73 -27.73 66.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.774 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.13 -26.94 56.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.579 HD12 HD12 ' A' ' 35' ' ' LEU . 23.3 mt -70.33 -48.23 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 13.0 mtp180 -68.27 -70.83 0.24 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.398 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -38.83 -31.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.91 -77.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.1 m-85 -77.88 -20.58 52.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 5.4 tppt? -67.03 -37.77 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.067 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.9 m -73.32 -35.35 46.2 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.028 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.5 m-85 -60.49 -18.07 49.25 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.39 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -73.03 90.75 1.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.951 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -54.08 -40.09 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.812 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.2 -20.11 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 111.144 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.08 20.05 40.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.005 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.88 -0.22 23.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 -18.8 56.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -113.77 139.59 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 13.8 mt -103.16 121.7 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.074 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.9 m -83.64 -177.86 6.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.9 mppt? -64.76 -51.62 61.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 111.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -59.19 -28.28 66.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.406 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -83.4 -50.1 8.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.05 -27.09 66.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.217 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.54 -19.98 71.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -87.61 -21.36 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.197 0.522 . . . . 0.0 110.162 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.36 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.306 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.59 -44.79 96.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.491 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.28 -24.4 64.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -75.68 12.52 1.02 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 mt -120.7 -20.44 7.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.9 15.78 6.09 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.17 89.97 2.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.721 0.296 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.22 111.17 4.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.1 135.23 3.79 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.596 2.198 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -93.23 -177.84 4.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.42 -22.66 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.0 -23.69 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.573 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.2 mm-40 -77.41 -55.57 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.883 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -56.93 -14.1 3.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 74' ' ' LEU . 53.5 mm-40 -88.6 -29.53 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 24.1 m -90.35 -26.05 5.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.16 -30.18 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.636 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.69 HG13 ' HG3' ' A' ' 55' ' ' LYS . 22.0 mm -77.58 -21.38 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.903 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -83.11 -16.65 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 3.6 mmp_? -80.1 -26.31 39.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.739 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 89' ' ' VAL . 6.5 mt -98.89 -42.23 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.71 88.25 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.0 mmt -83.08 -45.44 14.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.107 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.52 -19.4 64.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.14 53.59 4.12 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.095 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -109.2 6.14 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.787 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.02 -18.67 7.46 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.823 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -123.32 163.71 20.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 81' ' ' LEU . 41.4 t -94.03 134.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.527 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -92.63 149.33 21.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.65 -25.11 66.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.86 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.4 mt-10 -75.42 -50.43 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.42 -23.52 49.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.916 0.388 . . . . 0.0 111.056 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.25 -46.44 9.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.071 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.9 m -55.73 -33.42 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -75.59 -46.49 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -19.94 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.708 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.925 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.805 0.336 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.95 -32.26 63.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -33.95 77.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.26 -53.26 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 37.2 mtp180 -64.74 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.522 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -38.62 -31.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.11 -79.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.8 m-85 -77.44 -31.04 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.7 tppt? -55.37 -40.26 71.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.355 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 41' ' ' ALA . 30.7 m -71.86 -36.43 58.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.214 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.4 m-85 -59.73 -18.27 41.41 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.488 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.22 90.79 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.113 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -58.23 -34.86 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.51 -19.14 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.93 17.95 24.19 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.063 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -81.47 0.81 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.31 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.48 -15.89 62.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.2 m-85 -112.62 141.78 45.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.694 0.283 . . . . 0.0 110.657 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 23.5 mt -113.59 111.41 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.9 t -69.5 179.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.633 ' H ' ' HD3' ' A' ' 55' ' ' LYS . 2.3 mppt? -65.67 -47.88 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -57.91 -35.86 71.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.91 -48.68 34.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -19.91 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.25 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 -24.31 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.522 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 m -81.76 -32.77 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.1 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.016 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mmm -64.14 -49.82 70.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.49 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -63.22 -26.71 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -55.73 -37.41 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.59 -16.25 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.55 19.18 7.13 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.346 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.5 96.43 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.06 110.66 4.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.95 129.8 3.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.476 2.118 . . . . 0.0 112.708 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.656 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 20.2 m120 -71.8 154.97 40.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.411 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HA ' HD21 ' A' ' 74' ' ' LEU . 10.8 pt-20 -60.21 -17.46 41.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.87 -30.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.015 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.0 mm-40 -74.07 -49.26 24.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.685 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -54.74 -14.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.659 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.11 -37.1 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.331 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.7 m -84.57 -22.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.597 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -81.41 -30.21 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.651 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.58 HG13 ' HG3' ' A' ' 55' ' ' LYS . 19.7 mm -84.03 -20.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.971 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 5.2 pp0? -80.37 -12.9 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 90.7 mtt180 -76.23 -47.61 23.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.694 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.8 mp -80.34 -41.86 24.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -65.63 86.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.0 mmt -70.89 -54.76 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.01 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.45 -14.73 63.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.91 46.52 44.53 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 8.31 40.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.64 -15.77 28.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 47.7 mt-30 -131.65 161.62 32.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.58 131.84 54.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.53 155.78 18.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -48.14 -60.86 2.31 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -44.43 -56.42 4.26 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.55 -32.44 28.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.341 . . . . 0.0 111.448 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -90.43 -19.79 23.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 92' ' ' GLU . 2.0 p -80.01 -28.73 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 111.566 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 m -82.43 -44.05 16.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.6 -26.31 68.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.552 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 38' ' ' ILE . 3.8 tp . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.811 0.339 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 44.1 tt0 -62.51 -36.33 82.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.366 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.45 -22.28 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.404 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 35' ' ' LEU . 95.8 mt -61.49 -68.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.163 0.506 . . . . 0.0 111.264 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.728 ' HB2' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -63.71 -46.39 85.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.749 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.643 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 5.0 tm-20 -51.18 -20.7 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 111.154 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -80.04 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 6.0 m-85 -73.18 -19.13 61.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.04 -35.63 56.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.598 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ALA . 17.1 m -68.04 -30.71 49.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 45.2 m-85 -65.57 -19.7 66.02 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.893 0.378 . . . . 0.0 110.188 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.74 92.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.258 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.92 -37.87 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.45 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.35 -19.64 53.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.36 23.18 40.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.677 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -76.19 -3.73 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.65 -8.61 63.99 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.633 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.4 m-85 -122.09 149.22 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.731 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.0 mt -113.05 128.34 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.8 t -93.75 -178.09 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' A' ' 74' ' ' LEU . 4.0 mppt? -63.58 -48.22 78.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -61.83 -31.04 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.703 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.54 -49.34 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.3 -22.01 64.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.69 71.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.558 HG23 ' HE ' ' A' ' 63' ' ' ARG . 27.2 m -86.55 -29.39 22.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.335 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.41 -50.29 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.1 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.454 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . 23.9 mmt -57.51 -48.88 78.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.849 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.558 ' HE ' HG23 ' A' ' 60' ' ' THR . 23.6 ptt180 -59.96 -23.69 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.805 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.9 t -79.89 13.08 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.19 -20.25 7.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.469 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.7 15.08 6.47 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.932 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.431 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 28.3 m-85 -131.07 114.85 15.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.677 0.275 . . . . 0.0 110.416 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.9 ptp -85.09 110.13 26.22 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.193 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' MET . 71.8 Cg_endo -90.08 133.94 2.07 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.61 2.207 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.85 175.16 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.57 -16.59 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.492 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -24.63 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.13 -50.31 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.756 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -55.34 -14.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.792 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -82.99 -35.76 25.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.485 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.63 -35.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.19 -29.19 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.228 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.644 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -67.72 -37.74 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.449 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -59.62 -39.82 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.282 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -50.88 -57.41 8.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -73.0 -48.5 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.34 77.82 2.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.9 mtm -65.82 -32.94 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.29 -20.7 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.18 28.47 73.71 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.8 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -86.54 -2.56 58.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 -12.15 67.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.764 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 94.6 mt-30 -133.13 151.32 52.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.948 0.404 . . . . 0.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.02 129.57 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.334 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.283 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 14.7 t80 -46.26 -58.0 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.382 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 95' ' ' VAL . 43.0 mt-10 -48.8 -51.49 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -54.24 -27.34 34.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -83.27 -48.35 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -58.51 -27.42 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.9 m -74.07 -53.78 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.46 -18.8 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 111.288 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 38' ' ' ILE . 8.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.58 -37.1 84.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.974 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -29.61 69.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 35' ' ' LEU . 69.6 mt -64.53 -55.32 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.035 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -59.93 -68.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.41 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.08 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 112.117 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -74.95 -22.76 58.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.46 -40.65 93.45 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.6 m -69.9 -34.22 59.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.441 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.2 m-85 -58.85 -18.22 30.78 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.368 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -78.32 95.31 5.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.684 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -55.46 -37.07 67.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.175 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.553 ' HB2' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -84.66 -20.58 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.619 0.247 . . . . 0.0 111.611 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.71 54.28 34.04 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.32 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -101.18 -3.24 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.61 -10.16 64.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.89 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -126.51 129.94 49.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.717 0.294 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 11.4 mt -99.13 129.46 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.428 . . . . 0.0 111.535 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 m -86.18 179.89 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.655 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -67.73 -48.9 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.716 0.293 . . . . 0.0 110.947 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.89 -42.39 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.58 -44.77 85.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -60.84 -21.61 63.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.93 -25.32 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.005 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.51 -21.9 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 0.0 110.35 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.42 -44.84 50.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.351 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.34 -49.43 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.887 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -53.68 -26.47 22.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.675 0.274 . . . . 0.0 111.267 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -62.11 -41.9 98.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.845 0.355 . . . . 0.0 110.652 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.32 -18.9 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.79 -0.85 17.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 60.7 m-85 -108.91 113.3 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -90.27 108.0 23.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.322 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 65.6 Cg_endo -89.9 152.63 4.94 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -99.97 -179.04 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.758 179.643 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.94 -22.33 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -90.07 -23.79 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.616 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 77' ' ' ILE . 16.6 mm-40 -80.97 -50.49 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.66 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.1 pp -54.67 -13.79 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -85.92 -33.16 21.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.683 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.14 -23.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.6 mt -78.47 -31.99 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 111.313 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.655 HG13 ' HG3' ' A' ' 55' ' ' LYS . 10.0 mm -67.42 -51.35 53.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.759 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.84 -8.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -70.61 -34.51 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.688 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD13 ' A' ' 97' ' ' LEU . 2.8 mt -107.64 -30.72 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.463 ' HB2' HG22 ' A' ' 89' ' ' VAL . 28.6 t0 -72.06 84.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.375 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.74 -34.92 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.068 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.86 -26.15 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.82 29.48 67.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.823 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.45 16.03 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.08 -5.25 27.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.932 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -132.5 139.42 47.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 82' ' ' ASP . 52.8 t -97.76 126.31 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.27 153.95 20.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.944 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.67 -45.78 63.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.485 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.614 ' O ' HG12 ' A' ' 95' ' ' VAL . 46.6 mt-10 -52.6 -59.71 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.788 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.42 -34.85 26.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -86.46 -20.37 28.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.904 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -74.77 -29.63 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.427 -179.244 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.8 m -80.98 -42.18 21.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.437 HD13 HD22 ' A' ' 81' ' ' LEU . 86.0 mt -54.67 -33.96 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD11 HD13 ' A' ' 38' ' ' ILE . 4.5 pp . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 38' ' ' ILE . 13.2 tp . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.879 0.371 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.82 -37.7 71.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.222 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.47 -40.84 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 35' ' ' LEU . 81.4 mt -58.19 -53.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.03 -68.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.6 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.99 -80.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 25.0 m-85 -77.31 -20.91 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.5 tppt? -66.04 -40.53 91.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.2 m -69.4 -34.64 63.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.764 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.6 m-85 -61.92 -18.21 59.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.303 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -78.24 100.55 6.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.126 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -67.12 -37.41 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.52 -19.19 56.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.91 24.97 29.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.019 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -79.95 -4.63 53.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.56 -19.28 45.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -116.81 137.92 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.68 0.276 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 10.8 mt -100.12 113.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.603 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 66.0 m -64.64 171.56 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.198 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.13 -47.55 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.351 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -63.02 -28.58 70.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.04 -50.96 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -19.53 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.6 -19.76 71.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.559 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.5 m -89.93 -23.41 21.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.233 0.539 . . . . 0.0 109.716 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.32 -39.55 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.023 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.0 mmm -68.54 -44.39 74.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.622 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -56.34 -29.26 61.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.884 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 t -60.57 -37.9 82.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.259 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.68 -21.06 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.805 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.85 21.2 4.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.465 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 90.0 m-85 -121.25 109.98 15.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.464 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -98.77 101.26 11.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.7 Cg_endo -88.11 143.28 5.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.774 2.316 . . . . 0.0 112.318 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.5 m120 -83.7 -173.14 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.77 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.56 -33.37 74.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.46 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.14 -23.61 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.765 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.5 mm-40 -69.6 -51.1 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.734 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.9 pp -57.01 -13.83 3.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 74' ' ' LEU . 44.2 mt-10 -83.34 -33.17 25.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.628 0.251 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.9 m -88.58 -24.33 6.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.8 mt -81.01 -28.09 11.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 0.0 111.423 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.626 HG13 ' HG3' ' A' ' 55' ' ' LYS . 14.0 mm -82.97 -23.61 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.822 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.62 -21.91 54.87 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.021 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -66.82 -48.75 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.224 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -76.87 -38.76 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.0 80.47 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.845 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.1 mtp -80.57 -37.76 30.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.248 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -20.23 64.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.63 33.88 36.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -84.19 -2.53 57.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.098 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 12.9 mm-40 -122.75 165.93 15.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.793 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.1 117.4 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -86.55 152.22 22.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -46.12 -46.82 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -52.99 -53.83 44.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.815 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.34 -38.39 58.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.945 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -86.78 -19.54 28.91 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.86 -24.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.496 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -87.35 -38.33 16.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.25 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.65 -39.89 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.37 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.73 -26.81 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.13 -24.77 51.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.264 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 98' ' ' LEU . 51.5 mt -67.37 -51.24 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 7.9 mtp180 -60.06 -67.97 0.34 Allowed 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.54 -31.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.57 -80.63 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.0 m-85 -78.81 -22.48 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -63.38 -35.82 81.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.053 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 41' ' ' ALA . 25.9 m -76.86 -33.59 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.101 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.548 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 22.1 m-85 -57.49 -18.0 16.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.884 0.373 . . . . 0.0 110.31 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.92 93.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.917 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -54.95 -50.14 69.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.312 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.08 -20.34 49.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 111.246 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.73 31.02 74.02 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.573 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -76.03 -0.88 23.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.11 0.455 . . . . 0.0 110.793 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 0.64 58.64 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.428 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.15 154.68 50.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 110.326 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 25.6 mt -116.69 101.2 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 32.9 t -66.45 -178.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.31 -47.63 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 111.214 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -59.31 -40.65 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.66 -49.02 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -19.57 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.239 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.79 -24.3 72.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 63' ' ' ARG . 40.0 m -87.74 -20.57 26.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.04 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.26 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.124 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 94.7 mmm -69.64 -48.2 60.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.549 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 60' ' ' THR . 6.2 ptp180 -54.27 -32.51 56.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.049 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -56.8 -41.63 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.33 -18.7 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.53 24.94 3.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.452 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.53 99.72 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.11 109.3 29.87 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.22 146.63 11.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.615 2.21 . . . . 0.0 112.302 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 18.1 m120 -83.74 176.03 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.15 -34.01 65.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -24.62 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.646 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 19.5 mm-40 -72.77 -51.91 17.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.405 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HG3' ' A' ' 75' ' ' GLU . 3.1 pp -54.7 -14.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.788 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 74' ' ' LEU . 45.9 mt-10 -86.97 -39.15 15.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.585 0.231 . . . . 0.0 111.286 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG23 HD12 ' A' ' 77' ' ' ILE . 34.4 m -83.93 -28.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.71 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.654 HD12 HG23 ' A' ' 76' ' ' VAL . 1.5 mp -70.02 -30.32 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.381 . . . . 0.0 110.667 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.649 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.4 mm -68.19 -54.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.868 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.99 -8.78 0.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' A' ' 80' ' ' ARG . 2.9 mmp_? -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.951 0.405 . . . . 0.0 110.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD12 HG11 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -114.05 -24.36 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' HG22 ' A' ' 89' ' ' VAL . 27.5 t70 -71.22 89.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.6 mmm -76.81 -31.87 57.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.95 -21.53 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.303 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.34 25.07 59.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.903 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -87.85 7.97 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.34 -12.56 58.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.718 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 41.8 mt-30 -132.24 142.33 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 81' ' ' LEU . 45.4 t -94.77 130.16 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.67 150.01 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -43.34 -60.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.977 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.0 mt-10 -42.58 -47.88 5.28 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.0 -42.5 69.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -80.05 -42.42 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -54.46 -24.03 11.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.683 0.277 . . . . 0.0 111.542 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.0 m -84.48 -38.14 20.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.77 -36.67 26.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 38' ' ' ILE . 13.5 tp . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.755 0.312 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 47.7 mt-10 -56.96 -31.73 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.702 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.44 -36.19 77.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 35' ' ' LEU . 80.4 mt -65.72 -52.8 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -59.49 -66.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.317 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.6 mm-40 -38.79 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.537 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.76 -82.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 4.9 m-85 -72.32 -24.35 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -65.15 -39.88 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.2 m -68.26 -34.62 67.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.816 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 54.2 m-85 -61.87 -17.96 58.39 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.203 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -78.12 99.49 6.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -60.68 -39.3 87.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.783 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.82 -19.24 55.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 13.2 18.22 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.79 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.01 1.31 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.41 -14.18 65.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.3 m-85 -112.22 146.22 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -115.76 104.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.255 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -60.79 175.98 0.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.687 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.66 -51.27 65.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 56' ' ' GLN . 7.4 mm-40 -57.31 -33.24 67.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.62 -46.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.163 0.506 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.49 -28.26 66.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 179.304 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.82 -16.89 68.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.1 m -85.08 -26.09 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.07 0.462 . . . . 0.0 110.13 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.35 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.937 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.48 -49.55 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.495 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -54.98 -30.56 59.52 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.732 0.301 . . . . 0.0 111.054 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -55.93 -37.77 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.58 -20.08 60.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.16 28.92 2.27 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.559 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.78 99.88 4.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 4.0 mpp? -76.72 110.25 11.15 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 1.0 OUTLIER -83.84 136.11 7.0 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.99 2.46 . . . . 0.0 112.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 78.0 m-20 -81.61 -174.62 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.922 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.14 -62.56 1.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.57 -19.43 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.95 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 mm-40 -73.47 -59.18 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.375 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.6 pp -55.97 -15.1 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.491 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' HD12 ' A' ' 74' ' ' LEU . 43.5 mt-10 -83.08 -38.95 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.657 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.1 m -76.63 -24.94 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 111.597 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt -81.32 -34.19 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.399 . . . . 0.0 111.29 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.601 HG13 ' HG3' ' A' ' 55' ' ' LYS . 9.2 mm -73.64 -27.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.075 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 10.7 pt20 -71.7 -12.88 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.93 -41.07 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.9 mp -81.02 -49.79 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.816 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -67.7 88.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 92.8 mmm -70.46 -51.78 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.978 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.49 -22.98 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.488 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.16 44.5 9.69 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.37 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.61 12.37 19.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.747 0.308 . . . . 0.0 111.042 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.41 6.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.831 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 93.1 mt-30 -129.04 162.1 28.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.29 124.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -87.17 153.1 21.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.04 -53.26 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.5 mt-10 -50.0 -58.94 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.83 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.19 -30.61 17.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.81 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -89.34 -21.5 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -70.52 -26.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.651 0.262 . . . . 0.0 111.501 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -90.08 -38.96 13.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.54 -28.49 45.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.406 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 38' ' ' ILE . 4.3 pp . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 HD12 ' A' ' 38' ' ' ILE . 9.5 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.362 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 39' ' ' ARG . 46.2 mt-10 -63.01 -35.26 79.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.86 -23.8 67.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 35' ' ' LEU . 77.9 mt -67.81 -52.06 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.53 -70.51 0.18 Allowed 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.297 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.98 -30.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.11 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 35.4 m-85 -77.32 -21.79 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -63.16 -39.94 96.11 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.1 m -72.29 -33.59 46.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.249 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 26.8 m-85 -61.65 -18.23 58.67 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.096 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.57 92.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.669 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -50.83 -40.21 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.071 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.65 -20.28 54.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.681 0.276 . . . . 0.0 111.605 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.02 13.6 20.47 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.98 -2.51 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.711 0.291 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -21.42 46.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.608 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -112.47 129.29 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 21.9 mt -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.394 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -103.73 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.106 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.634 ' HB3' HD13 ' A' ' 74' ' ' LEU . 25.1 mtmm -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.75 -32.5 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -75.16 -47.42 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.21 -19.65 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.16 -20.33 76.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.771 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.4 m -84.98 -27.43 26.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.125 0.488 . . . . 0.0 110.065 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.21 -44.44 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.256 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.86 -48.93 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.742 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.87 -32.2 63.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 111.089 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.9 t -56.5 -38.1 71.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.35 -19.96 48.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.845 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.54 18.98 5.13 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.482 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 81.1 m-85 -121.06 106.59 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.768 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.6 mtp -90.8 107.68 22.31 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.142 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 95.1 Cg_endo -86.16 136.7 5.0 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.573 2.182 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 18.7 m120 -78.97 177.18 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.75 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 0.0 111.244 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.01 -20.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.39 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.1 mm-40 -75.26 -47.99 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.601 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.0 pp -61.36 -13.94 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.545 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 74' ' ' LEU . 46.4 mt-10 -83.63 -27.65 28.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.795 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 73' ' ' GLU . 19.0 m -89.44 -19.5 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.7 mt -81.13 -46.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.46 HG13 ' HA ' ' A' ' 55' ' ' LYS . 19.4 mm -67.09 -17.68 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -84.72 -9.66 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 16.5 mmm180 -82.03 -31.12 31.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -99.71 -40.09 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.432 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.94 82.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.016 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 84' ' ' ASP . 24.9 ptt? -61.53 -47.96 83.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.651 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 83' ' ' MET . 11.2 p-10 -71.2 -28.1 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 111.302 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.21 45.69 8.7 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.416 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.54 10.38 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 0.0 110.75 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.29 -13.5 33.08 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.415 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -133.89 154.75 50.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.6 t -97.71 128.53 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.03 149.94 23.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -48.72 -54.74 13.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.705 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.7 mt-10 -53.31 -53.09 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 111.583 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.98 -22.79 11.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.739 0.304 . . . . 0.0 111.252 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.2 -41.96 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 92' ' ' GLU . 32.8 m -58.14 -32.15 43.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.6 m -82.31 -45.51 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 111.684 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 81' ' ' LEU . 81.5 mt -59.24 -26.72 65.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.427 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.737 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 38' ' ' ILE . 14.1 tp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -54.79 -37.27 65.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -55.02 -37.75 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -66.31 -56.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 6.3 mtp180 -59.77 -69.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.259 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.2 tt0 -38.46 -30.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.26 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.6 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.4 m-85 -75.87 -27.68 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 41' ' ' ALA . 21.1 m -68.25 -33.78 62.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.546 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 24.8 m-85 -57.92 -18.14 21.22 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.459 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -68.91 92.27 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -55.4 -44.65 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.985 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.05 -15.57 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.436 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.72 24.74 54.23 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.809 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.18 -8.89 56.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.64 65.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.462 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.04 130.22 53.09 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.175 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 38.0 mt -93.26 105.78 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.837 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 71.6 m -65.23 177.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.6 mppt? -65.05 -47.26 77.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.65 -34.67 76.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.46 -48.42 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.9 -19.5 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.75 -22.55 73.7 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 55.5 m -83.99 -27.71 28.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.096 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.29 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.181 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.31 -47.84 63.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 10.8 ptm180 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 t -53.73 -34.24 58.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -85.28 -18.75 32.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.42 20.9 4.55 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.732 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -122.0 104.45 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 88.8 mmm -80.24 111.14 19.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -87.16 129.77 2.86 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.551 2.167 . . . . 0.0 112.415 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.98 -177.86 4.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.21 -35.61 81.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.04 -25.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.412 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.3 mm-40 -64.84 -57.93 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.99 -14.31 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.564 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' HD12 ' A' ' 74' ' ' LEU . 22.8 mm-40 -83.13 -31.92 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.515 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.4 m -89.49 -23.71 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 111.628 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.7 mt -81.13 -30.63 11.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.279 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.572 HG13 ' HG3' ' A' ' 55' ' ' LYS . 26.5 mm -85.24 -22.79 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.755 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -74.5 -16.86 60.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.1 -45.02 43.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.3 mp -80.23 -43.15 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.25 80.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.039 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.8 mtp -71.45 -48.62 48.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.704 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 16.7 p-10 -68.05 -20.85 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.522 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 37.7 30.5 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.326 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.9 p-10 -80.66 -19.84 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.13 -24.94 11.92 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -126.56 167.78 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.84 122.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.386 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -86.8 149.76 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -50.17 -50.34 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.3 mt-10 -54.23 -50.59 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.669 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.99 -25.63 63.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.872 0.368 . . . . 0.0 111.033 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 38.5 t80 -81.64 -51.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 92' ' ' GLU . 4.9 m -54.63 -36.79 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.481 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -61.05 -51.27 69.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.683 0.278 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 pp -77.4 -5.38 49.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.972 0.415 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 43.9 mt-10 -70.46 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.343 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -85.67 -22.52 27.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' HB ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mt -59.51 -57.29 12.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 110.41 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HB3' ' HE3' ' A' ' 43' ' ' LYS . 9.9 ptm180 -62.21 -44.5 96.43 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.642 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 23.0 mm-40 -38.78 -36.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 111.025 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -73.39 -73.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.511 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 13.4 m-85 -70.16 -44.96 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -49.49 -47.62 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -61.51 -35.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.582 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.7 m-85 -56.4 -18.98 12.75 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.708 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.18 110.31 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.966 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -74.05 -32.99 63.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.901 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.21 -13.35 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.18 18.53 20.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.957 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -75.37 -1.46 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.89 -8.06 80.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 13.4 m-85 -116.03 151.81 34.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 67.4 mt -117.06 134.72 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -99.1 -178.26 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.615 ' HB3' HD13 ' A' ' 74' ' ' LEU . 43.9 mtmt -65.51 -47.12 77.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.077 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.42 -28.49 70.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.8 -54.6 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.97 -20.44 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.334 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.97 -20.52 72.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.705 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -90.22 -24.53 20.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.045 0.45 . . . . 0.0 110.312 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.03 -42.18 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 mmt -66.97 -45.85 76.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.574 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.17 -29.1 67.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.0 t -58.95 -38.13 78.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.02 -18.41 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.24 10.95 9.25 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.614 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.29 90.63 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.96 112.15 16.6 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.6 138.67 5.42 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.587 2.191 . . . . 0.0 112.201 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -72.96 170.47 14.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.39 -14.12 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.07 0.462 . . . . 0.0 110.05 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.64 -27.49 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.671 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 10.3 mm-40 -76.13 -54.15 7.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.909 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.1 pp -52.69 -19.11 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 74' ' ' LEU . 47.6 mt-10 -78.54 -35.68 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.356 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -87.23 -20.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.58 -43.12 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.741 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.0 mm -66.43 -23.94 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -80.85 -10.88 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.889 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 31.2 mmt180 -80.63 -29.58 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.31 -45.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.68 84.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtt -71.15 -32.7 69.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.69 -23.6 64.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.25 35.69 77.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.67 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.23 16.79 20.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.44 1.91 53.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 91.1 mt-30 -141.45 150.08 41.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.0 131.08 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.32 157.25 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' O ' HG13 ' A' ' 95' ' ' VAL . 33.5 t80 -51.12 -54.06 28.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.608 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 95' ' ' VAL . 47.3 mt-10 -47.51 -59.46 3.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.767 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.45 -25.34 3.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.756 0.312 . . . . 0.0 111.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -90.37 -25.49 20.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 91' ' ' PHE . 2.7 m -72.67 -33.82 45.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.719 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.4 m -79.56 -48.2 14.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.638 0.256 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.86 -23.18 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 179.853 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 38' ' ' ILE . 4.2 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.958 0.409 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.41 -28.93 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.21 -23.0 61.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD12 ' A' ' 35' ' ' LEU . 65.8 mt -65.57 -52.36 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mpt_? -61.75 -68.48 0.32 Allowed 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.64 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.05 -78.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -75.62 -19.67 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -67.21 -40.08 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.567 0.222 . . . . 0.0 111.225 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -71.61 -36.72 60.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 29.0 m-85 -58.91 -18.17 30.92 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.584 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -74.43 100.37 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -67.03 -37.98 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.834 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.85 -16.31 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 111.349 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.52 20.52 24.0 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.146 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -78.25 -2.89 40.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.064 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.36 -20.67 49.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.774 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.83 131.48 55.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 6.7 mt -95.71 112.78 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.441 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 58.3 m -72.88 -179.15 3.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.8 mppt? -65.18 -50.58 65.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.75 -34.31 69.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -47.48 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.586 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -59.93 -27.41 66.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.121 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.0 -19.96 61.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.5 m -84.32 -31.67 24.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.066 0.46 . . . . 0.0 110.191 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.39 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.138 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.28 -52.58 64.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -58.83 -29.13 66.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.292 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.769 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.47 -18.06 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.74 14.41 7.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.88 90.68 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.657 0.265 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -71.89 111.99 12.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -87.7 135.33 3.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.619 2.213 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 36.9 m-80 -75.48 175.69 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.59 -29.35 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.34 -23.97 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.8 mm-40 -70.79 -53.88 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.8 -14.24 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.513 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 74' ' ' LEU . 43.2 mm-40 -85.45 -33.85 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.144 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -86.95 -26.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.577 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.7 mt -80.91 -25.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.571 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.0 mm -84.64 -24.93 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.664 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -77.76 -17.31 57.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.816 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -74.64 -43.54 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HG21 ' A' ' 89' ' ' VAL . 5.8 mt -81.91 -39.52 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.625 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.46 83.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.753 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.3 mtt -77.79 -46.36 21.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.664 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 12.3 p-10 -68.65 -20.93 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.01 42.19 16.63 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.427 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.7 p-10 -90.59 -8.97 48.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.87 0.335 . . . . 0.0 111.176 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.14 -27.79 18.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 48.4 mt-30 -122.48 161.31 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.425 HG21 HD12 ' A' ' 81' ' ' LEU . 60.7 t -95.32 128.31 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.426 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.48 151.35 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -49.38 -54.65 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.575 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' VAL . 42.4 mt-10 -47.58 -59.9 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.68 -33.05 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -88.53 -24.16 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -70.43 -28.93 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.502 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.1 m -84.89 -41.05 16.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.83 -30.2 32.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.484 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.789 0.328 . . . . 0.0 111.018 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -27.98 63.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 110.754 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.85 -33.52 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -62.1 -48.93 86.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.559 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 39.8 mtp180 -63.25 -61.9 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.9 mt-10 -39.21 -29.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.93 -81.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 11.0 m-85 -74.58 -27.18 60.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -64.18 -39.79 94.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.9 m -68.74 -33.34 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.4 m-85 -58.96 -18.15 31.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.17 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -77.78 94.15 4.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.899 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -55.83 -35.97 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.59 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.06 -20.11 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.7 19.24 19.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.768 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -72.79 -2.04 18.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.41 -6.17 65.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.661 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -126.1 144.17 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.505 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.7 mt -108.0 124.02 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.247 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -85.55 179.23 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 78' ' ' ILE . 4.0 mppt? -63.94 -50.42 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.329 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -58.25 -37.22 74.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -74.14 -45.98 45.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.917 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 58' ' ' LEU . 2.6 tm? -59.84 -26.19 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.02 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.57 -18.65 63.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.737 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 36.3 m -90.31 -22.23 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.27 34.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.962 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.8 mmm -64.48 -42.17 96.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.625 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 60' ' ' THR . 4.4 ptm180 -59.33 -23.27 62.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.87 0.367 . . . . 0.0 110.6 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.4 t -75.45 10.34 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.691 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.8 mt -120.23 -20.66 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 18.77 5.01 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.073 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 115.75 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.572 0.225 . . . . 0.0 110.554 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -100.34 100.58 12.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.367 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.5 150.44 24.92 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.426 2.084 . . . . 0.0 112.209 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 24.3 p30 -98.8 -169.83 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.286 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.89 -44.36 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.32 -19.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.9 mm-40 -72.98 -56.58 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 74' ' ' LEU . 43.9 mt-10 -81.72 -36.84 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.563 0.22 . . . . 0.0 111.58 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -83.32 -25.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 111.748 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -80.92 -28.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.429 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.618 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.9 mm -83.98 -25.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.929 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -76.12 -9.44 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -76.03 -49.99 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.831 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -81.72 -40.97 21.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.65 81.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 17.5 ptp -77.23 -41.81 39.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.718 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.59 -22.61 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.002 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.39 37.86 40.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.607 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.982 0.391 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.2 -21.21 20.33 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.82 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -127.05 155.53 43.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.25 122.88 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.46 150.13 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -46.68 -53.15 12.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.835 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.568 ' O ' HG12 ' A' ' 95' ' ' VAL . 40.9 mt-10 -49.76 -54.73 17.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.911 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.61 -36.27 45.11 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -88.77 -18.45 27.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -76.61 -26.68 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.103 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.9 m -83.84 -42.67 16.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.91 -14.4 63.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 HD12 ' A' ' 38' ' ' ILE . 59.6 tp . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.902 0.382 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.95 -33.37 68.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.393 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.23 -31.31 72.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 HD12 ' A' ' 35' ' ' LEU . 18.6 mt -68.52 -46.59 79.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 26.8 mtp180 -69.79 -70.38 0.29 Allowed 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 44' ' ' VAL . 40.4 tt0 -39.2 -31.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.715 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.18 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.7 m-85 -78.06 -26.7 48.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HZ1' ' HD1' ' A' ' 91' ' ' PHE . 2.9 tppt? -61.46 -39.07 89.54 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.392 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -71.78 -34.63 52.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.991 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 21.2 m-85 -56.28 -18.4 10.49 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.474 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.93 92.6 0.1 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.853 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.86 -45.3 74.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.02 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.56 -20.1 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.527 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.7 19.68 58.6 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.141 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.86 -7.01 18.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.939 0.399 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.72 -10.43 59.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -125.67 145.6 50.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.141 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 HD23 ' A' ' 58' ' ' LEU . 23.2 mt -104.07 116.12 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 111.226 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 41.1 t -79.9 179.48 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.473 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.9 mppt? -61.32 -59.59 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.84 -34.84 56.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.696 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.55 -47.74 45.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.586 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -59.69 -25.3 64.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.775 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.99 -21.75 73.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.88 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.0 m -80.77 -27.09 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -51.57 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.143 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.68 -53.26 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.814 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -53.86 -34.89 60.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.389 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -54.47 -36.84 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.687 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -81.61 -18.43 44.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.74 21.74 4.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 68.4 m-85 -127.78 102.91 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.692 0.282 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.32 109.51 23.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.137 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -89.33 143.02 4.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.662 2.241 . . . . 0.0 112.298 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' HD22 ' A' ' 74' ' ' LEU . 4.7 p30 -91.96 179.55 5.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.4 pt-20 -58.9 -23.2 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.02 -21.72 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mm-40 -88.18 -54.76 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -54.44 -15.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.576 0.227 . . . . 0.0 111.595 -178.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 74' ' ' LEU . 38.5 mt-10 -80.75 -47.35 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.476 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.1 m -69.89 -21.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.67 -27.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 55' ' ' LYS . 10.2 mm -81.6 -25.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.641 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.58 -9.7 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.454 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 80' ' ' ARG . 1.3 mmp_? -79.4 -32.61 42.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 89' ' ' VAL . 6.2 mt -99.01 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.54 82.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.921 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 mtp -76.04 -40.29 53.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.541 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -69.07 -24.6 64.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.735 0.302 . . . . 0.0 111.518 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.28 46.04 6.72 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.536 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.9 9.62 43.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.0 110.694 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.32 -16.6 7.34 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -129.09 161.61 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 81' ' ' LEU . 47.5 t -92.7 126.26 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.14 149.87 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.504 ' HD1' ' HZ1' ' A' ' 43' ' ' LYS . 23.2 t80 -49.15 -56.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.739 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 95' ' ' VAL . 44.6 mt-10 -52.22 -55.63 19.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 111.887 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.4 -24.61 12.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.56 -34.93 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.4 m -65.5 -31.62 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.413 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 m -76.56 -46.55 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.334 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.02 -14.96 58.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.3 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.026 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 38' ' ' ILE . 5.7 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.891 0.377 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.612 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.02 -37.59 85.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.537 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.4 -29.66 70.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 HD12 ' A' ' 35' ' ' LEU . 19.0 mt -64.7 -39.93 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.007 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 24.8 mtp180 -63.55 -69.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -38.97 -31.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.01 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 45.8 m-85 -76.47 -25.87 54.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.4 tppt? -61.52 -36.73 81.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.463 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 41' ' ' ALA . 26.9 m -74.44 -34.25 35.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.075 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 37.3 m-85 -61.52 -18.02 57.33 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.158 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.97 87.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.825 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.72 -36.24 62.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.871 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -78.33 -20.34 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.305 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.14 16.56 19.82 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.782 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -73.0 -0.84 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.668 0.271 . . . . 0.0 111.269 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 -17.58 58.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.652 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 3.1 m-85 -114.36 150.7 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.4 mt -118.7 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.395 . . . . 0.0 111.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -82.3 -179.19 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.595 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.575 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 3.8 mppt? -65.42 -49.57 68.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.36 -45.25 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -60.13 -27.47 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.077 179.31 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.42 -20.77 67.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.5 m -86.33 -25.07 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -47.89 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.67 -51.02 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -53.68 -33.15 54.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 111.077 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -58.47 -41.03 84.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.28 -19.27 58.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.04 16.41 5.78 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.42 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.46 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 84.3 m-85 -121.3 100.63 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.598 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -85.79 108.68 17.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -88.74 136.78 3.21 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.93 175.32 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.689 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.62 -26.11 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -89.81 -23.53 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -74.8 -55.02 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.519 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.4 pp -53.27 -16.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.687 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' N ' HD12 ' A' ' 74' ' ' LEU . 17.1 mm-40 -78.01 -37.37 47.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.555 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 HD12 ' A' ' 77' ' ' ILE . 18.0 m -90.23 -38.34 10.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 76' ' ' VAL . 1.8 mp -58.22 -38.33 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.503 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -69.19 -30.4 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.778 -179.387 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 77.5 mt-30 -71.42 -12.94 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.568 0.223 . . . . 0.0 111.497 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.82 -31.91 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.27 -37.06 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.227 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.11 87.88 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.94 -59.88 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -68.6 -21.86 64.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.428 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.24 44.43 13.54 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.491 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.13 12.99 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 110.535 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.8 -16.14 16.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.375 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.1 mt-30 -128.86 160.23 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.667 0.27 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.04 129.47 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.294 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -87.95 154.44 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 95' ' ' VAL . 34.1 t80 -50.27 -57.12 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.802 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.4 mt-10 -45.48 -58.47 3.35 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.17 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.87 -28.52 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -88.37 -24.77 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 92' ' ' GLU . 1.8 m -69.48 -30.97 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.654 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 m -81.14 -46.05 15.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.652 0.263 . . . . 0.0 111.502 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.65 -22.26 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.732 179.723 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 38' ' ' ILE . 5.4 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.31 -29.0 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.34 -32.61 72.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 35' ' ' LEU . 10.5 mt -66.74 -58.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.283 0.563 . . . . 0.0 110.767 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 61.4 mtp180 -60.99 -61.87 2.27 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.373 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.45 -33.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 111.559 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.45 -82.71 0.03 OUTLIER 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 42.2 m-85 -78.43 -25.89 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.6 tppt? -61.78 -39.25 91.01 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 28.4 m -69.89 -34.96 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 C-N-CA 120.194 -0.603 . . . . 0.0 110.899 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 30.3 m-85 -58.52 -17.99 25.72 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.447 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.21 88.68 1.15 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.769 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -53.88 -42.67 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.63 -19.27 53.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.225 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.24 25.99 60.88 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.29 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -74.01 -10.05 59.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.867 0.334 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.93 -20.56 31.12 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.638 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.51 140.62 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.267 . . . . 0.0 110.421 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 28.2 mt -99.89 113.35 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.264 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.497 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 33.5 t -71.13 177.92 3.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.72 ' H ' ' HD3' ' A' ' 55' ' ' LYS . 2.8 mppt? -62.05 -57.16 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.516 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -56.32 -31.67 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.729 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.67 -48.65 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.783 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 78' ' ' ILE . 5.2 tp -61.74 -21.62 64.68 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.17 -22.66 70.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.849 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 HH21 ' A' ' 63' ' ' ARG . 85.0 m -81.38 -32.08 33.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.2 0.524 . . . . 0.0 109.739 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.35 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.244 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.6 -51.44 59.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.833 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.554 HH21 HG23 ' A' ' 60' ' ' THR . 40.5 ptt180 -55.83 -31.58 62.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.727 0.298 . . . . 0.0 110.992 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 t -55.03 -34.8 63.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.65 -19.32 52.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.87 13.16 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 76.0 m-85 -117.98 103.62 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.638 0.256 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.5 mtt -87.52 108.9 22.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 69.8 Cg_endo -89.62 144.6 4.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.56 171.94 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.401 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' HD22 ' A' ' 74' ' ' LEU . 10.1 pt-20 -61.22 -19.67 61.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -19.67 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.22 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.2 mm-40 -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.298 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.1 pt? -56.38 -14.43 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 111.388 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' HD23 ' A' ' 74' ' ' LEU . 46.0 mt-10 -84.92 -33.92 22.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.275 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.3 m -84.09 -20.6 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.788 0.328 . . . . 0.0 111.57 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 74' ' ' LEU . 7.3 mt -80.71 -25.92 11.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.617 HG13 ' HG3' ' A' ' 55' ' ' LYS . 15.8 mm -74.92 -29.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.815 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -78.46 -9.18 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.576 0.227 . . . . 0.0 111.41 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -79.34 -34.05 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -100.43 -36.46 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -73.31 87.64 1.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -54.59 -55.94 24.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.3 p-10 -68.81 -21.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.59 48.4 43.67 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.408 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 4.9 p-10 -87.69 13.16 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 110.782 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.96 -14.47 32.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 45.7 mt-30 -132.86 139.16 47.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.92 129.52 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -91.35 150.24 21.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.241 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.81 -56.57 11.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.831 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' VAL . 44.5 mt-10 -45.82 -56.21 5.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.998 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -48.45 -35.27 12.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.673 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -90.43 -20.47 22.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.91 -28.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.237 -179.411 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 m -83.21 -44.35 15.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.35 -15.53 60.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.887 179.897 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 38' ' ' ILE . 18.7 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.37 -33.07 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.68 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -72.71 -35.22 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 35' ' ' LEU . 64.1 mt -61.06 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -68.27 -70.42 0.26 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -39.1 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.05 -79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 28.0 m-85 -78.31 -27.44 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -58.24 -39.62 79.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.7 m -71.56 -36.42 60.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.914 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 36.4 m-85 -59.72 -18.14 40.34 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.344 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -70.44 89.37 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -51.75 -41.48 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.683 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.06 -20.23 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.45 17.59 33.38 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.059 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -77.59 6.35 7.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 0.0 111.044 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.47 -13.94 65.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.27 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -116.72 138.7 51.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 31.0 mt -106.67 118.33 54.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -74.87 -179.86 4.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.605 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.4 mppt? -66.43 -49.04 68.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -57.94 -37.61 74.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -73.47 -46.26 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.78 -24.61 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.258 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.97 -19.34 69.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.845 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.418 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 60.8 m -86.48 -28.93 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.04 0.448 . . . . 0.0 110.378 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -43.01 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.316 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 97.4 mmm -67.59 -50.02 60.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 16.3 ptm180 -60.63 -27.87 68.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.108 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.5 t -55.94 -37.61 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.14 -12.34 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.22 16.58 8.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -126.22 93.17 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -84.1 112.27 39.68 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.24 -179.703 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 5.5 Cg_endo -85.53 151.44 10.31 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.889 2.392 . . . . 0.0 112.106 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -83.84 169.48 15.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -57.5 -28.81 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -86.32 -19.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.554 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.8 mm-40 -84.15 -48.74 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.452 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.7 pp -55.61 -14.32 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.39 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HG3' HD12 ' A' ' 74' ' ' LEU . 47.1 mt-10 -85.77 -38.85 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.6 m -77.07 -27.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.701 0.286 . . . . 0.0 111.651 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.0 -27.44 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.207 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' HG3' ' A' ' 55' ' ' LYS . 8.1 mm -82.07 -22.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.871 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -80.42 -14.04 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -79.61 -31.61 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -70.41 81.68 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.0 mtm -73.08 -43.85 61.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.928 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.18 -21.24 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.11 37.89 27.61 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 113.26 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.2 6.72 45.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.833 0.317 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.68 -18.37 15.71 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -124.73 165.68 17.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 111.008 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.2 t -107.5 129.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -91.63 150.76 21.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' O ' HG13 ' A' ' 95' ' ' VAL . 26.7 t80 -48.82 -51.55 28.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.491 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.7 mt-10 -52.72 -53.59 45.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.266 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.96 -22.35 37.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -90.47 -30.04 17.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.3 m -74.11 -32.83 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.4 m -76.82 -47.78 20.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.669 0.271 . . . . 0.0 111.499 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.21 -23.34 67.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.38 0.133 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -77.4 145.92 24.22 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.512 2.142 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -68.34 -5.65 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -64.23 128.14 92.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.542 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.64 126.66 11.0 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.323 2.015 . . . . 0.0 112.539 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.8 t 62.94 113.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.476 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -123.45 -68.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.96 118.27 0.32 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.85 -29.39 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.1 mm? -87.87 -156.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.7 mtt 66.44 106.6 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -88.91 -52.54 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -166.72 -58.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.48 80.95 0.74 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.695 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -169.13 143.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.661 0.267 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.05 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -171.41 -3.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 ' HB ' HD12 ' A' ' 21' ' ' LEU . 18.6 m -83.69 124.97 74.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.289 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 63.5 Cg_endo -90.11 -60.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.767 2.311 . . . . 0.0 113.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -141.86 59.21 1.48 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -89.16 -5.75 57.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.21 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.691 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -95.92 -3.76 44.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -106.72 -60.75 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.181 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -130.37 -29.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 21' ' ' LEU . 28.8 tt0 60.2 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.092 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -72.56 130.86 85.13 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 149.53 25.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.5 2.134 . . . . 0.0 112.292 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 t -111.7 111.91 38.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -175.01 119.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mm -62.51 127.73 90.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 33' ' ' ASP . 38.4 Cg_endo -66.29 151.7 82.77 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.52 2.146 . . . . 0.0 112.085 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -48.89 -11.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.762 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 31' ' ' PRO . 4.5 m-20 -55.7 -24.35 33.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.598 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -25.04 20.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp -68.44 -39.85 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.086 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.01 -19.45 61.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.166 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.54 -27.84 56.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.05 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.41 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -38.76 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.92 -82.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -73.77 -20.31 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tppt? -69.23 -40.85 77.68 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.452 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.9 m -66.8 -34.23 68.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.041 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 39.6 m-85 -60.69 -18.24 52.82 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -72.96 96.16 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -60.81 -36.54 79.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.686 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.09 -20.46 52.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.467 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 14.94 16.52 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.788 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.26 -2.9 17.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.5 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.555 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -123.2 150.96 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.738 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 27.2 mt -113.92 121.21 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -85.71 178.2 7.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 22.7 mtmm -60.61 -58.7 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.514 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -52.22 -31.24 31.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.42 -47.5 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.2 tm? -60.46 -28.88 68.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.2 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.36 -20.27 65.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.906 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.48 -22.33 24.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.165 0.507 . . . . 0.0 110.178 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.39 -49.72 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.218 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.5 mtp -59.78 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.609 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -53.9 -32.65 54.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.108 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -58.96 -40.76 85.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.583 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.12 -20.31 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 17.82 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 17.1 m-85 -126.0 92.03 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.508 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -82.51 110.84 24.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.222 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.3 Cg_endo -89.99 148.33 4.73 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.661 2.241 . . . . 0.0 112.444 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -84.35 169.87 14.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HA ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -62.49 -14.95 47.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.135 179.157 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.78 -26.56 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.669 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' VAL . 9.4 mm-40 -90.02 -47.54 7.77 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.581 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -54.4 -14.54 1.26 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.704 0.287 . . . . 0.0 111.426 -178.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 74' ' ' LEU . 47.2 mt-10 -80.7 -38.22 29.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.399 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.9 m -82.12 -19.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.723 0.297 . . . . 0.0 111.714 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.94 -33.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.564 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' HA ' ' A' ' 55' ' ' LYS . 7.7 mm -71.89 -28.81 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.77 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -76.37 -9.7 58.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.744 0.307 . . . . 0.0 110.905 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -79.08 -33.22 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -94.28 -39.99 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.048 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.18 84.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.417 ' HG2' ' OE1' ' A' ' 93' ' ' GLU . 21.3 ptp -77.43 -37.99 50.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.634 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.18 -26.01 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.579 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.2 58.64 2.42 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.239 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -112.38 5.06 17.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.691 0.282 . . . . 0.0 111.101 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.51 -18.82 16.99 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.605 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.29 165.58 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 36.3 t -102.74 132.25 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -93.33 153.19 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.62 -58.38 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.9 mt-10 -46.09 -59.35 2.93 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 83' ' ' MET . 37.8 mt-10 -46.44 -40.95 13.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.866 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 79.3 t80 -84.82 -21.29 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -77.49 -30.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.426 -179.206 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.6 m -75.0 -47.09 30.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.292 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.11 -14.35 62.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -83.63 -15.2 49.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.18 -177.42 15.36 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 122.551 2.168 . . . . 0.0 112.266 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.535 0.207 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.49 132.01 27.93 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.7 -12.08 54.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -96.38 119.92 63.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.78 135.26 40.81 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.425 2.083 . . . . 0.0 111.918 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.3 p -77.47 117.43 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 t -175.25 127.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.04 113.41 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.44 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.32 96.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 ptp -53.66 133.52 41.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -76.92 -32.63 57.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -166.47 117.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.53 39.67 0.84 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.634 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tp -118.08 136.55 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -60.24 115.5 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 56.4 m -124.98 98.66 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 21' ' ' LEU . 12.3 m -81.08 110.69 18.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.255 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 17' ' ' THR . 93.0 Cg_endo -82.19 -51.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.421 2.081 . . . . 0.0 112.843 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.02 81.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 18' ' ' VAL . 6.4 mp -117.83 31.75 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.676 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.6 pt? -107.92 6.23 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.2 p -108.37 -34.75 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -82.15 -23.62 35.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.51 164.83 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -83.41 149.27 57.6 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.092 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.76 19.49 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.685 2.257 . . . . 0.0 112.813 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.95 158.57 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.269 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -179.19 158.02 0.86 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.001 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.9 mm -71.45 131.47 86.46 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.969 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 Cg_endo -66.96 150.31 82.89 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.147 1.898 . . . . 0.0 112.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.49 -45.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -45.51 -70.32 0.11 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HG2' ' HG2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -69.29 -23.77 63.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.327 . . . . 0.0 111.089 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.46 -34.01 76.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.0 -25.25 67.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 110.675 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.41 -27.43 60.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.98 -52.23 51.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 10.4 mtp180 -64.51 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.31 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -38.38 -31.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -67.91 -83.68 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 23.9 m-85 -75.05 -19.5 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.0 tppt? -67.43 -38.67 84.91 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -70.18 -34.63 59.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.032 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.0 m-85 -60.82 -18.06 53.37 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.007 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.31 90.1 4.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.609 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -55.3 -34.84 64.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.288 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.46 -19.99 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.364 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.01 12.32 22.04 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.052 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -67.77 -4.72 13.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.689 0.281 . . . . 0.0 111.003 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.93 -19.83 52.66 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.216 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.64 129.71 56.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.68 0.276 . . . . 0.0 110.5 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.8 mt -92.87 134.38 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 111.454 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.8 m -91.83 176.14 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.272 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.59 -50.23 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 111.034 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -57.59 -38.33 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -43.83 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.73 -26.23 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.866 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.51 -18.2 69.57 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.827 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 37.9 m -87.63 -24.57 23.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.21 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.3 -46.51 55.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.953 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.6 mmm -61.66 -49.42 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 11.5 ptp180 -57.5 -29.69 64.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.05 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 t -57.79 -37.33 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -76.51 -16.38 59.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.64 11.01 8.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.615 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 27.5 m-85 -122.98 94.42 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.664 0.269 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.1 ptm -78.11 111.57 19.33 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.563 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -90.2 144.6 4.14 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.829 2.352 . . . . 0.0 112.171 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.56 179.28 6.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.76 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.23 -19.95 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.349 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.0 t -90.33 -30.57 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.672 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' O ' HG22 ' A' ' 76' ' ' VAL . 28.0 mm-40 -72.61 -52.81 13.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.695 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 75' ' ' GLU . 2.8 pp -54.16 -16.9 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HG2' HD12 ' A' ' 74' ' ' LEU . 31.8 mm-40 -82.71 -32.84 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -89.1 -22.8 6.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -80.89 -24.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 111.592 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.578 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.1 mm -79.56 -35.25 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.9 pt20 -62.56 -27.43 69.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.526 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.438 ' HB2' HD22 ' A' ' 81' ' ' LEU . 2.9 mmp_? -60.0 -38.92 84.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.352 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 81' ' ' LEU . 2.3 mm? -91.18 -45.63 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.195 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.65 83.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.1 ptp -84.03 -44.28 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.005 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -68.45 -20.69 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.18 57.43 2.65 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.021 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -108.22 4.74 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.11 2.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -130.78 150.06 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.667 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.99 120.72 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -83.71 157.49 22.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.43 -59.78 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.749 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' HA ' HG12 ' A' ' 95' ' ' VAL . 45.6 mt-10 -50.07 -55.93 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.723 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -46.21 -37.59 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -91.04 -23.73 20.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 92' ' ' GLU . 1.3 p -75.7 -26.97 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.5 m -87.55 -47.67 8.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.721 0.295 . . . . 0.0 111.377 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.96 -20.62 58.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt -100.86 -16.88 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.8 -161.58 12.08 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.492 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.249 1.026 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.31 112.28 3.29 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.528 2.152 . . . . 0.0 112.275 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -69.14 -26.23 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 55.5 p-80 -91.49 148.29 37.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.002 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 25.5 Cg_exo -62.66 130.91 31.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.58 2.187 . . . . 0.0 112.15 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.66 -71.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.345 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.2 m -103.16 131.0 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.06 -176.24 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.39 -41.03 49.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 111.046 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 179.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.6 mtp 57.17 58.56 3.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.64 -26.69 65.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -72.24 170.61 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.973 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 28.63 18.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.657 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.9 tp -139.41 142.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -71.77 100.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -89.18 98.55 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.502 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.6 m -81.05 119.72 76.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.345 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -39.9 -30.47 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.228 2.618 . . . . 0.0 113.107 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -94.03 47.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.121 0.486 . . . . 0.0 110.175 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -81.71 25.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.582 -179.477 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.71 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.0 pt? -110.45 -1.76 16.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.016 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.0 p -96.15 -17.32 20.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.78 -30.78 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 21' ' ' LEU . 35.2 tt0 -103.04 123.7 47.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.28 143.22 97.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 86.32 1.28 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.296 1.997 . . . . 0.0 112.181 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.64 167.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.488 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -172.95 156.17 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.0 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.72 136.08 78.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.47 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.83 148.91 43.91 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.514 2.143 . . . . 0.0 112.619 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -44.76 -25.25 0.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -47.78 -46.61 30.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.742 0.306 . . . . 0.0 111.266 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.99 -20.54 48.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 38' ' ' ILE . 15.6 tp -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.684 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.96 -34.33 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.27 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.665 HD12 HD12 ' A' ' 35' ' ' LEU . 22.8 mt -68.65 -44.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 12.8 mtp180 -69.09 -68.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.371 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -38.96 -31.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.95 -81.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 5.3 m-85 -74.05 -30.25 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tppt? -58.22 -39.38 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.6 m -71.96 -34.63 51.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 40.8 m-85 -60.57 -17.88 49.08 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -76.54 97.4 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -54.71 -39.85 68.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.945 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.41 -19.4 53.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.77 15.51 27.21 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.802 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -74.59 4.0 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 111.24 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.16 -16.4 58.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.1 m-85 -112.9 136.11 52.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.3 mt -108.4 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.582 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -66.09 -178.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.487 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.6 mppt? -64.58 -55.61 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -51.55 -42.52 61.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.578 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.57 -45.74 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.053 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.13 -26.92 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.008 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.56 -21.7 67.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.02 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.7 m -88.54 -21.77 23.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -46.91 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.084 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmt -63.63 -49.81 71.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.538 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -32.06 63.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.9 t -55.85 -36.5 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.12 -17.11 51.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.88 19.06 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 54.9 m-85 -126.39 90.88 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.2 ptm -85.99 109.93 26.6 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 73.3 Cg_endo -88.65 151.66 6.23 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.751 2.3 . . . . 0.0 112.265 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 74' ' ' LEU . 32.3 m-80 -85.94 171.69 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.687 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.1 pt-20 -60.04 -23.82 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -91.23 -19.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.9 mm-40 -87.59 -55.04 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.2 pt? -54.63 -15.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' HD23 ' A' ' 74' ' ' LEU . 45.4 mt-10 -82.74 -32.57 27.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.529 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.3 m -89.53 -26.99 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.546 HG23 HH21 ' A' ' 80' ' ' ARG . 6.0 mt -73.24 -38.39 54.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.548 HG13 ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.25 -43.59 82.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.471 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -52.11 -41.61 62.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.601 0.238 . . . . 0.0 111.416 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.546 HH21 HG23 ' A' ' 77' ' ' ILE . 62.9 mtm180 -45.99 -38.85 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.555 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.8 mp -91.59 -40.01 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.52 84.34 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mtp -59.99 -48.19 82.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.375 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.48 -21.08 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.61 38.47 68.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.569 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.16 -16.38 53.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.001 0.401 . . . . 0.0 110.496 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.23 -21.74 23.94 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.715 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.6 mt-30 -128.77 133.47 48.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.48 126.93 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.732 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -87.24 154.13 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.02 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 95' ' ' VAL . 19.0 t80 -45.84 -57.97 3.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.968 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' VAL . 45.9 mt-10 -51.44 -51.76 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.784 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.8 -25.3 18.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.783 0.325 . . . . 0.0 111.254 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -90.37 -36.77 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' GLU . 15.9 m -62.7 -30.7 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.536 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.4 m -78.94 -47.02 17.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 0.0 111.479 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -22.93 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt -102.03 -19.71 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.63 -118.98 1.34 Allowed Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.457 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.48 2.12 . . . . 0.0 112.251 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.533 0.206 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.5 87.98 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.361 2.041 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -106.05 -39.38 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.628 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -100.64 121.25 53.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.627 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.35 127.99 24.73 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.318 2.012 . . . . 0.0 112.202 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.41 142.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -137.9 141.49 40.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.83 -171.08 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -70.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.746 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.22 92.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.124 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.2 mtm -64.7 95.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -77.7 -55.34 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -164.85 132.88 3.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.34 79.52 0.37 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.209 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tp -62.02 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 111.324 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -107.63 173.63 6.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -156.11 88.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 m -99.94 141.37 22.65 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.28 -45.6 7.12 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.527 2.151 . . . . 0.0 112.516 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -170.66 84.47 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.81 8.01 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.787 ' H ' HD23 ' A' ' 22' ' ' LEU . 1.9 pt? -104.83 21.79 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.772 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -109.1 -48.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.02 -26.24 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.251 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 64.42 131.99 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -62.73 135.43 95.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.27 115.28 1.93 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.634 2.223 . . . . 0.0 112.541 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.56 166.39 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -132.53 -18.87 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.66 114.09 55.03 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.49 150.55 84.11 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.105 1.87 . . . . 0.0 112.103 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -40.49 -41.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.926 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 9.5 m-20 -46.37 -47.06 18.76 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG2' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -90.82 -26.78 19.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.634 0.254 . . . . 0.0 111.463 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.735 -178.558 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 33' ' ' ASP . 12.5 pt-20 -56.7 -30.0 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.3 -29.82 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.218 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -70.7 -49.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.011 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.0 mtp180 -68.0 -70.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.416 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -39.06 -31.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -64.52 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 32.3 m-85 -77.12 -28.33 54.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.2 -40.46 77.47 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.358 -0.137 . . . . 0.0 111.29 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.4 m -73.17 -35.84 48.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 25.2 m-85 -58.41 -18.59 29.3 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.56 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -71.2 90.73 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.099 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 47' ' ' ARG . 20.2 mtm180 -54.87 -40.56 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.619 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.78 -19.33 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.88 19.0 19.99 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.045 -0.597 . . . . 0.0 113.075 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -74.63 0.67 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.763 0.316 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.78 -11.03 66.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.05 143.72 49.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.733 0.302 . . . . 0.0 110.484 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 15.0 mt -109.69 109.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 111.566 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -69.45 -178.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.12 -50.51 67.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 111.517 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.85 -35.88 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.483 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.19 -49.2 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.294 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -19.72 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.87 70.0 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.741 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.6 m -89.99 -21.96 22.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.128 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.164 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.85 -47.52 65.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.669 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -56.96 -26.15 59.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.5 t -60.98 -43.32 99.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.12 -16.64 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.37 9.4 10.42 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 62.9 m-85 -121.53 96.85 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.619 0.247 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -79.88 111.41 21.35 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -89.11 147.79 5.51 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -96.35 -175.24 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.868 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.575 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -86.77 -19.58 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.699 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 mm-40 -85.05 -50.86 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.84 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.5 pp -55.74 -13.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.527 ' HG3' HD12 ' A' ' 74' ' ' LEU . 48.8 mt-10 -87.27 -30.58 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.8 m -90.11 -25.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.92 -22.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.719 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.639 HG13 ' HG3' ' A' ' 55' ' ' LYS . 28.2 mm -90.05 -17.98 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 12.0 pt20 -81.71 -14.03 57.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -82.02 -51.24 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.77 -41.2 68.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.097 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -69.43 82.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mtp -77.6 -45.32 25.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.444 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.1 p30 -68.17 -9.59 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.394 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.06 31.79 80.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.254 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.55 -12.93 60.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 -30.45 10.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.27 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -118.52 174.45 6.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.4 123.55 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.429 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.45 149.36 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.983 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.09 -32.82 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.0 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.7 mt-10 -71.75 -51.49 22.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.359 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.68 -20.46 48.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.332 . . . . 0.0 111.061 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -89.11 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.58 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.8 m -56.48 -32.18 35.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 m -77.92 -46.22 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.711 0.264 . . . . 0.0 111.711 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.73 -18.21 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.676 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -109.39 -13.9 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.715 0.293 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.69 158.56 14.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.52 2.146 . . . . 0.0 112.335 179.847 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.649 0.262 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.02 -2.65 11.4 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.44 2.093 . . . . 0.0 112.248 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -65.47 -23.15 66.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -80.78 113.21 38.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.95 110.79 3.15 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.355 2.037 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 m -103.9 3.17 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -97.57 -60.08 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.15 109.94 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.32 -70.21 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.3 mm? 50.92 36.32 14.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -77.03 -171.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.031 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -58.87 -52.92 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -82.18 68.62 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.76 -26.06 0.88 Allowed Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.45 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' H ' ' A' ' 17' ' ' THR . 7.5 tp -67.97 137.63 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -70.42 -37.58 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.807 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.472 ' H ' HG13 ' A' ' 15' ' ' ILE . 9.7 t 35.76 46.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.006 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.5 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 58.8 t -92.96 135.6 25.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 3.2 Cg_exo -81.44 -58.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.154 2.57 . . . . 0.0 112.913 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -49.98 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.72 21.23 8.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.481 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.9 pt? -107.99 -23.96 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 m -106.69 -59.72 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.62 -38.63 25.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' HG2' ' HG3' ' A' ' 26' ' ' ARG . 46.6 tt0 57.25 -109.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HG3' ' HG2' ' A' ' 25' ' ' GLN . 99.2 mtt180 -100.29 149.49 36.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.13 38.85 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.578 2.185 . . . . 0.0 112.043 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.8 108.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.457 ' C ' HD12 ' A' ' 30' ' ' ILE . 15.6 t70 -175.35 84.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.611 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 30' ' ' ILE . 2.2 mp -107.85 134.59 20.02 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.063 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 30' ' ' ILE . 58.0 Cg_endo -80.98 148.52 17.25 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.594 2.196 . . . . 0.0 112.316 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -43.62 -40.73 4.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.611 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -48.22 -47.3 35.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.893 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.96 -24.8 52.33 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.32 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 38' ' ' ILE . 5.3 tp -71.6 -36.76 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.314 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.73 -27.73 66.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.774 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.13 -26.94 56.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.579 HD12 HD12 ' A' ' 35' ' ' LEU . 23.3 mt -70.33 -48.23 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 13.0 mtp180 -68.27 -70.83 0.24 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.398 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -38.83 -31.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.91 -77.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.1 m-85 -77.88 -20.58 52.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 5.4 tppt? -67.03 -37.77 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.067 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.9 m -73.32 -35.35 46.2 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.028 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.5 m-85 -60.49 -18.07 49.25 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.39 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -73.03 90.75 1.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.951 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -54.08 -40.09 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.812 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.2 -20.11 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 111.144 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.08 20.05 40.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.005 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.88 -0.22 23.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 -18.8 56.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -113.77 139.59 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 13.8 mt -103.16 121.7 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.074 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.9 m -83.64 -177.86 6.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.9 mppt? -64.76 -51.62 61.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 111.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -59.19 -28.28 66.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.406 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -83.4 -50.1 8.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.05 -27.09 66.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.217 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.54 -19.98 71.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -87.61 -21.36 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.197 0.522 . . . . 0.0 110.162 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.36 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.306 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.59 -44.79 96.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.491 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.28 -24.4 64.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -75.68 12.52 1.02 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 mt -120.7 -20.44 7.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.9 15.78 6.09 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.17 89.97 2.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.721 0.296 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.22 111.17 4.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.1 135.23 3.79 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.596 2.198 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -93.23 -177.84 4.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.42 -22.66 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.0 -23.69 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.573 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.2 mm-40 -77.41 -55.57 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.883 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -56.93 -14.1 3.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 74' ' ' LEU . 53.5 mm-40 -88.6 -29.53 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 24.1 m -90.35 -26.05 5.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.16 -30.18 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.636 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.69 HG13 ' HG3' ' A' ' 55' ' ' LYS . 22.0 mm -77.58 -21.38 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.903 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -83.11 -16.65 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 80' ' ' ARG . 3.6 mmp_? -80.1 -26.31 39.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.739 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 89' ' ' VAL . 6.5 mt -98.89 -42.23 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.71 88.25 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.0 mmt -83.08 -45.44 14.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.107 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.52 -19.4 64.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.14 53.59 4.12 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.095 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -109.2 6.14 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.787 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.02 -18.67 7.46 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.823 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -123.32 163.71 20.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 81' ' ' LEU . 41.4 t -94.03 134.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.527 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -92.63 149.33 21.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.65 -25.11 66.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.86 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.4 mt-10 -75.42 -50.43 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.42 -23.52 49.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.916 0.388 . . . . 0.0 111.056 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.25 -46.44 9.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.071 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.9 m -55.73 -33.42 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -75.59 -46.49 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -19.94 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.708 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 pp -110.72 -14.9 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.54 103.15 2.2 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.337 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.448 2.099 . . . . 0.0 112.191 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -17.01 46.6 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.537 2.158 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -85.61 -11.52 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.61 127.5 56.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.11 126.39 11.74 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.312 2.008 . . . . 0.0 112.263 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -114.49 152.43 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.9 m 64.15 88.09 0.1 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.3 116.11 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.05 -20.61 32.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.41 90.76 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.01 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.2 ttp -119.75 39.31 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.234 0.54 . . . . 0.0 110.518 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -83.87 -13.75 52.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.664 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 60.97 90.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.3 153.33 24.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 tp -82.04 130.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -101.48 131.37 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 t -152.0 41.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.488 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.3 t -55.45 133.11 70.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.169 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 51.9 Cg_endo -90.95 -57.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.103 2.536 . . . . 0.0 112.438 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -70.03 77.32 0.49 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.819 0.342 . . . . 0.0 110.312 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -109.47 33.08 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.399 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.26 -16.59 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 44.9 t -97.87 22.94 8.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.588 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.582 ' HA ' HD23 ' A' ' 21' ' ' LEU . 35.5 tt0 -47.61 -12.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.482 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 75.8 mt-30 71.26 -163.08 0.14 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.519 . . . . 0.0 111.434 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 80.2 mtt180 -49.41 149.93 3.63 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.266 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 2.0 Cg_endo -82.61 19.72 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.098 2.532 . . . . 0.0 112.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' A' ' 26' ' ' ARG . 15.8 m -82.62 124.81 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.481 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 52.28 84.05 0.05 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.218 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.8 mm -71.23 131.27 87.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 33' ' ' ASP . 13.9 Cg_endo -56.18 150.69 47.31 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.473 2.116 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.27 -11.0 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.054 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.8 t70 -51.99 -39.82 59.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -78.98 -20.68 48.51 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.1 0.476 . . . . 0.0 110.546 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -74.72 -29.16 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.95 -32.26 63.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -33.95 77.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.26 -53.26 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 37.2 mtp180 -64.74 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.522 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -38.62 -31.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.11 -79.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.8 m-85 -77.44 -31.04 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.7 tppt? -55.37 -40.26 71.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.355 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 41' ' ' ALA . 30.7 m -71.86 -36.43 58.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.214 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.4 m-85 -59.73 -18.27 41.41 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.488 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.22 90.79 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.113 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -58.23 -34.86 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.51 -19.14 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.93 17.95 24.19 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.063 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -81.47 0.81 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.31 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.48 -15.89 62.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.2 m-85 -112.62 141.78 45.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.694 0.283 . . . . 0.0 110.657 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 23.5 mt -113.59 111.41 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.9 t -69.5 179.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.633 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.3 mppt? -65.67 -47.88 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -57.91 -35.86 71.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.91 -48.68 34.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -19.91 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.25 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 -24.31 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.522 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 m -81.76 -32.77 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.1 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.016 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mmm -64.14 -49.82 70.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.49 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -63.22 -26.71 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -55.73 -37.41 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.59 -16.25 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.55 19.18 7.13 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.346 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.5 96.43 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.06 110.66 4.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.95 129.8 3.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.476 2.118 . . . . 0.0 112.708 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.656 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 20.2 m120 -71.8 154.97 40.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.411 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HA ' HD21 ' A' ' 74' ' ' LEU . 10.8 pt-20 -60.21 -17.46 41.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.87 -30.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.015 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.0 mm-40 -74.07 -49.26 24.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.685 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -54.74 -14.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.659 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.11 -37.1 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.331 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.7 m -84.57 -22.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.597 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -81.41 -30.21 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.651 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.58 HG13 ' HG3' ' A' ' 55' ' ' LYS . 19.7 mm -84.03 -20.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.971 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 5.2 pp0? -80.37 -12.9 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 90.7 mtt180 -76.23 -47.61 23.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.694 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.8 mp -80.34 -41.86 24.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -65.63 86.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.0 mmt -70.89 -54.76 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.01 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.45 -14.73 63.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.91 46.52 44.53 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 8.31 40.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.64 -15.77 28.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 47.7 mt-30 -131.65 161.62 32.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.58 131.84 54.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.53 155.78 18.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -48.14 -60.86 2.31 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -44.43 -56.42 4.26 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.55 -32.44 28.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.341 . . . . 0.0 111.448 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -90.43 -19.79 23.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 92' ' ' GLU . 2.0 p -80.01 -28.73 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 111.566 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 m -82.43 -44.05 16.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.6 -26.31 68.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.74 -20.12 17.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.552 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.07 90.8 0.19 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.49 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.574 2.183 . . . . 0.0 112.407 179.752 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.448 0.166 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.63 134.25 43.31 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.497 2.131 . . . . 0.0 112.366 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -90.04 -16.01 30.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 86.3 m-70 -78.57 149.07 74.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 33.6 Cg_exo -60.1 130.03 32.69 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.67 2.247 . . . . 0.0 112.414 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.69 97.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.6 p -88.7 146.59 24.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 122.8 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.47 -5.46 24.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.405 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt 58.95 73.75 0.47 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.727 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -59.89 98.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.011 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -62.36 -60.0 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.786 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 63.13 161.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.29 32.82 3.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.3 tt -126.58 146.89 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -75.29 139.97 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 m -115.52 -25.36 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.46 140.36 88.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -78.8 -45.49 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.669 2.246 . . . . 0.0 113.063 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.84 59.45 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.818 0.342 . . . . 0.0 111.408 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.72 -5.8 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.3 pt? -61.4 -10.34 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.345 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -69.42 -33.91 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.33 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.03 -7.05 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.072 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -74.6 -80.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 40.9 ptt180 -65.84 138.84 96.61 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.631 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 36.2 Cg_exo -57.83 97.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 m -69.89 170.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.46 109.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -51.53 130.04 34.84 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 33' ' ' ASP . 10.9 Cg_endo -53.87 151.29 26.96 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.071 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' HB3' ' A' ' 35' ' ' LEU . 36.7 tt0 -50.85 -7.41 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.812 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 31' ' ' PRO . 20.2 t70 -53.64 -34.36 58.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -84.61 -23.71 29.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 38' ' ' ILE . 3.8 tp -76.11 -29.21 57.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.838 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 44.1 tt0 -62.51 -36.33 82.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.366 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.45 -22.28 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.404 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 35' ' ' LEU . 95.8 mt -61.49 -68.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.163 0.506 . . . . 0.0 111.264 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.728 ' HB2' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -63.71 -46.39 85.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.749 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.643 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 5.0 tm-20 -51.18 -20.7 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 111.154 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -80.04 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 6.0 m-85 -73.18 -19.13 61.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.04 -35.63 56.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.598 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ALA . 17.1 m -68.04 -30.71 49.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 45.2 m-85 -65.57 -19.7 66.02 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.893 0.378 . . . . 0.0 110.188 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.74 92.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.258 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.92 -37.87 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.45 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.35 -19.64 53.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.36 23.18 40.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.677 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -76.19 -3.73 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.089 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.65 -8.61 63.99 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.633 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.4 m-85 -122.09 149.22 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.731 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.0 mt -113.05 128.34 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.8 t -93.75 -178.09 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' A' ' 74' ' ' LEU . 4.0 mppt? -63.58 -48.22 78.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -61.83 -31.04 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.703 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.54 -49.34 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.3 -22.01 64.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.69 71.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.558 HG23 ' HE ' ' A' ' 63' ' ' ARG . 27.2 m -86.55 -29.39 22.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.335 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.41 -50.29 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.1 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.454 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . 23.9 mmt -57.51 -48.88 78.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.849 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.558 ' HE ' HG23 ' A' ' 60' ' ' THR . 23.6 ptt180 -59.96 -23.69 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.805 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.9 t -79.89 13.08 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.19 -20.25 7.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.469 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.7 15.08 6.47 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.932 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.431 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 28.3 m-85 -131.07 114.85 15.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.677 0.275 . . . . 0.0 110.416 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.9 ptp -85.09 110.13 26.22 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.193 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' MET . 71.8 Cg_endo -90.08 133.94 2.07 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.61 2.207 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.85 175.16 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.57 -16.59 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.492 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -24.63 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.13 -50.31 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.756 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -55.34 -14.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.792 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -82.99 -35.76 25.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.485 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.63 -35.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.19 -29.19 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.228 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.644 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -67.72 -37.74 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.449 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -59.62 -39.82 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.282 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -50.88 -57.41 8.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -73.0 -48.5 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.34 77.82 2.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.9 mtm -65.82 -32.94 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.29 -20.7 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.18 28.47 73.71 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.8 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -86.54 -2.56 58.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 -12.15 67.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.764 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 94.6 mt-30 -133.13 151.32 52.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.948 0.404 . . . . 0.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.02 129.57 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.334 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.283 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 14.7 t80 -46.26 -58.0 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.382 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 95' ' ' VAL . 43.0 mt-10 -48.8 -51.49 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -54.24 -27.34 34.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -83.27 -48.35 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -58.51 -27.42 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.9 m -74.07 -53.78 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.46 -18.8 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 111.288 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt -103.37 -20.63 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -133.2 83.54 0.29 Allowed Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.634 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.557 2.171 . . . . 0.0 112.259 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 65.8 mtt . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 74.1 Cg_endo -75.15 143.02 28.1 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.915 1.744 . . . . 0.0 112.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -71.67 -12.15 61.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -109.79 115.74 55.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.24 133.19 22.37 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.268 1.978 . . . . 0.0 112.254 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG23 HG22 ' A' ' 7' ' ' THR . 15.9 m -113.19 -43.05 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.215 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.411 HG22 HG23 ' A' ' 6' ' ' VAL . 4.0 t -175.25 146.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.39 130.66 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.031 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -86.25 -20.16 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 35.5 tp 75.8 -48.14 0.59 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.235 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.6 mmm 60.08 179.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 111.432 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.88 -22.78 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 61.16 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.91 -46.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.256 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 tp -101.35 143.98 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -78.95 -86.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p 44.0 72.78 0.17 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' HB ' ' HB2' ' A' ' 21' ' ' LEU . 28.2 m -89.59 144.67 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 20' ' ' ASN . 70.7 Cg_endo -75.94 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.454 2.102 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' H ' ' HG2' ' A' ' 19' ' ' PRO . 44.1 m-80 -150.68 46.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -73.27 -18.8 61.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.4 pt? -82.56 -2.51 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.3 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.3 m -110.08 -19.72 12.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.39 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.55 34.72 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.319 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -91.4 4.09 53.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.748 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 66.8 mtp180 -77.74 152.61 80.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 11.4 Cg_exo -71.22 8.79 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.655 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.5 m -93.25 165.82 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 63.82 88.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.517 HG23 ' HD2' ' A' ' 31' ' ' PRO . 87.3 mt -87.66 137.51 32.0 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.183 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 30' ' ' ILE . 84.5 Cg_endo -78.36 148.92 24.17 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.461 2.107 . . . . 0.0 111.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -51.24 -15.74 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.47 -48.95 79.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -22.87 58.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.178 0.513 . . . . 0.0 110.135 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 38' ' ' ILE . 8.4 tp -68.42 -29.59 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.508 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.58 -37.1 84.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.974 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -29.61 69.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 35' ' ' LEU . 69.6 mt -64.53 -55.32 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.035 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -59.93 -68.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.41 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.08 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 112.117 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -74.95 -22.76 58.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.46 -40.65 93.45 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.6 m -69.9 -34.22 59.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.441 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.2 m-85 -58.85 -18.22 30.78 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.368 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -78.32 95.31 5.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.684 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -55.46 -37.07 67.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.175 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.553 ' HB2' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -84.66 -20.58 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.619 0.247 . . . . 0.0 111.611 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.71 54.28 34.04 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.32 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -101.18 -3.24 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.61 -10.16 64.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.89 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -126.51 129.94 49.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.717 0.294 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 11.4 mt -99.13 129.46 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.428 . . . . 0.0 111.535 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 m -86.18 179.89 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.655 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -67.73 -48.9 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.716 0.293 . . . . 0.0 110.947 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.89 -42.39 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.58 -44.77 85.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -60.84 -21.61 63.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.93 -25.32 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.005 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.51 -21.9 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 0.0 110.35 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.42 -44.84 50.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.351 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.34 -49.43 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.887 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -53.68 -26.47 22.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.675 0.274 . . . . 0.0 111.267 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -62.11 -41.9 98.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.845 0.355 . . . . 0.0 110.652 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.32 -18.9 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.79 -0.85 17.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 60.7 m-85 -108.91 113.3 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -90.27 108.0 23.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.322 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 65.6 Cg_endo -89.9 152.63 4.94 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -99.97 -179.04 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.758 179.643 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.94 -22.33 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.0 t -90.07 -23.79 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.616 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' O ' HD12 ' A' ' 77' ' ' ILE . 16.6 mm-40 -80.97 -50.49 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.66 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.1 pp -54.67 -13.79 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -85.92 -33.16 21.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.683 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.14 -23.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.6 mt -78.47 -31.99 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 111.313 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.655 HG13 ' HG3' ' A' ' 55' ' ' LYS . 10.0 mm -67.42 -51.35 53.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.759 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.84 -8.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -70.61 -34.51 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.688 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD13 ' A' ' 97' ' ' LEU . 2.8 mt -107.64 -30.72 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.463 ' HB2' HG22 ' A' ' 89' ' ' VAL . 28.6 t0 -72.06 84.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.375 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.74 -34.92 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.068 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.86 -26.15 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.82 29.48 67.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.823 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.45 16.03 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.08 -5.25 27.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.932 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -132.5 139.42 47.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 82' ' ' ASP . 52.8 t -97.76 126.31 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.27 153.95 20.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.944 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.67 -45.78 63.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.485 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.614 ' O ' HG12 ' A' ' 95' ' ' VAL . 46.6 mt-10 -52.6 -59.71 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.788 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.42 -34.85 26.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -86.46 -20.37 28.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.904 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -74.77 -29.63 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.427 -179.244 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.8 m -80.98 -42.18 21.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.437 HD13 HD22 ' A' ' 81' ' ' LEU . 86.0 mt -54.67 -33.96 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD11 HD13 ' A' ' 38' ' ' ILE . 4.5 pp -103.39 -16.54 15.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.68 75.61 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.499 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.652 2.235 . . . . 0.0 112.308 179.864 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.574 0.225 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.16 118.88 5.91 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.513 2.142 . . . . 0.0 112.056 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -89.67 -25.14 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -89.22 109.85 34.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.924 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.27 135.76 44.52 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.3 t 59.49 -85.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.48 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -73.47 167.27 21.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.47 111.49 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.28 25.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt 57.68 16.87 3.7 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.364 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.2 mtm -140.44 -173.91 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -79.74 -35.85 38.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -166.31 96.23 0.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.77 116.01 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.643 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 tp -169.32 139.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -92.58 147.95 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.574 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.0 m -111.48 -50.18 2.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.4 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.14 145.87 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.271 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.4 -60.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.356 2.037 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -152.73 59.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.92 32.25 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.07 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 23' ' ' SER . 3.0 pp -103.51 -17.56 15.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.9 t -110.18 -32.27 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -79.78 -8.32 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.93 125.94 32.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -69.68 126.87 92.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.59 91.99 0.96 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.503 2.135 . . . . 0.0 112.417 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.79 168.83 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -138.8 36.21 2.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.427 HG21 ' HG2' ' A' ' 34' ' ' GLU . 48.6 mm -104.98 133.04 20.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.28 144.3 45.77 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.28 1.986 . . . . 0.0 112.123 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.55 -19.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.25 -42.59 81.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.693 0.283 . . . . 0.0 111.173 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG2' HG21 ' A' ' 30' ' ' ILE . 2.1 tp10 -78.78 -23.22 45.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.02 0.438 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 38' ' ' ILE . 13.2 tp -71.46 -29.62 65.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.394 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.82 -37.7 71.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.222 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.47 -40.84 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 35' ' ' LEU . 81.4 mt -58.19 -53.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.03 -68.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.6 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.99 -80.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 25.0 m-85 -77.31 -20.91 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.5 tppt? -66.04 -40.53 91.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.2 m -69.4 -34.64 63.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.764 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.6 m-85 -61.92 -18.21 59.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.303 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -78.24 100.55 6.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.126 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -67.12 -37.41 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.52 -19.19 56.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.91 24.97 29.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.019 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -79.95 -4.63 53.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.56 -19.28 45.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -116.81 137.92 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.68 0.276 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 10.8 mt -100.12 113.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.603 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 66.0 m -64.64 171.56 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.198 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.13 -47.55 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.351 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -63.02 -28.58 70.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.04 -50.96 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -19.53 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.6 -19.76 71.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.559 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.5 m -89.93 -23.41 21.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.233 0.539 . . . . 0.0 109.716 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.32 -39.55 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.023 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.0 mmm -68.54 -44.39 74.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.622 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -56.34 -29.26 61.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.884 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 t -60.57 -37.9 82.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.259 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.68 -21.06 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.805 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.85 21.2 4.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.465 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 90.0 m-85 -121.25 109.98 15.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.464 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -98.77 101.26 11.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.7 Cg_endo -88.11 143.28 5.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.774 2.316 . . . . 0.0 112.318 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.5 m120 -83.7 -173.14 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.77 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.56 -33.37 74.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.46 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.14 -23.61 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.765 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.5 mm-40 -69.6 -51.1 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.734 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.9 pp -57.01 -13.83 3.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 74' ' ' LEU . 44.2 mt-10 -83.34 -33.17 25.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.628 0.251 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.9 m -88.58 -24.33 6.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.8 mt -81.01 -28.09 11.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 0.0 111.423 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.626 HG13 ' HG3' ' A' ' 55' ' ' LYS . 14.0 mm -82.97 -23.61 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.822 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.62 -21.91 54.87 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.021 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -66.82 -48.75 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.224 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -76.87 -38.76 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.0 80.47 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.845 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.1 mtp -80.57 -37.76 30.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.248 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -20.23 64.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.63 33.88 36.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -84.19 -2.53 57.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.098 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 52' ' ' PHE . 12.9 mm-40 -122.75 165.93 15.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.793 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.1 117.4 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -86.55 152.22 22.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -46.12 -46.82 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -52.99 -53.83 44.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.815 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.34 -38.39 58.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.945 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -86.78 -19.54 28.91 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.86 -24.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.496 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -87.35 -38.33 16.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.25 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.65 -39.89 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 pp -94.61 -16.22 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.37 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.59 174.79 41.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.67 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.642 2.228 . . . . 0.0 112.26 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.4 mtp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.569 0.223 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -76.36 -89.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.378 2.052 . . . . 0.0 112.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.8 -35.07 6.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -89.08 150.17 44.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.232 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 154.39 19.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.684 2.256 . . . . 0.0 112.226 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.72 -20.51 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -108.39 144.28 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.66 -164.5 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.29 -66.65 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.669 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.4 mm? 64.94 154.88 0.07 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.5 ttm -136.71 25.66 3.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -86.43 -5.08 59.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 55.77 76.11 0.29 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.057 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.06 -54.17 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.9 tp -114.02 144.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.954 0.407 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -82.5 137.62 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.3 p -77.9 -25.19 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.544 ' HB ' HD13 ' A' ' 21' ' ' LEU . 26.0 m -97.16 149.73 36.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.69 -60.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.196 1.93 . . . . 0.0 112.592 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -151.42 65.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 ' HB ' ' A' ' 18' ' ' VAL . 6.0 mp -122.2 20.66 10.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.7 pt? -109.68 -0.44 18.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -108.75 -59.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -116.63 -50.68 2.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.184 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 61.6 99.6 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.979 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.622 ' HD2' ' H ' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -64.58 149.87 94.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.61 102.63 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.458 2.106 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.39 173.47 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.541 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -162.39 141.29 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.3 mm -107.72 135.33 19.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.1 151.23 12.41 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.785 2.324 . . . . 0.0 112.368 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -49.45 -12.22 0.06 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.926 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -49.36 -36.45 21.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.22 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -88.75 -21.38 23.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.9 -31.1 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.606 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.73 -26.81 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.13 -24.77 51.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.264 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 98' ' ' LEU . 51.5 mt -67.37 -51.24 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 7.9 mtp180 -60.06 -67.97 0.34 Allowed 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.54 -31.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.57 -80.63 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.0 m-85 -78.81 -22.48 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -63.38 -35.82 81.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.053 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 41' ' ' ALA . 25.9 m -76.86 -33.59 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.101 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.548 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 22.1 m-85 -57.49 -18.0 16.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.884 0.373 . . . . 0.0 110.31 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.92 93.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.917 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -54.95 -50.14 69.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.312 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.08 -20.34 49.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 111.246 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.73 31.02 74.02 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.573 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -76.03 -0.88 23.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.11 0.455 . . . . 0.0 110.793 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 0.64 58.64 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.428 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.15 154.68 50.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 110.326 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 25.6 mt -116.69 101.2 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 32.9 t -66.45 -178.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.31 -47.63 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 111.214 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -59.31 -40.65 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.66 -49.02 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -19.57 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.239 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.79 -24.3 72.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 63' ' ' ARG . 40.0 m -87.74 -20.57 26.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.04 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.26 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.124 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 94.7 mmm -69.64 -48.2 60.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.549 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 60' ' ' THR . 6.2 ptp180 -54.27 -32.51 56.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.049 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -56.8 -41.63 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.33 -18.7 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.53 24.94 3.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.452 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.53 99.72 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.11 109.3 29.87 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.22 146.63 11.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.615 2.21 . . . . 0.0 112.302 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 18.1 m120 -83.74 176.03 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.15 -34.01 65.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -24.62 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.646 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 19.5 mm-40 -72.77 -51.91 17.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.405 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HG3' ' A' ' 75' ' ' GLU . 3.1 pp -54.7 -14.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.788 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 74' ' ' LEU . 45.9 mt-10 -86.97 -39.15 15.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.585 0.231 . . . . 0.0 111.286 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG23 HD12 ' A' ' 77' ' ' ILE . 34.4 m -83.93 -28.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.71 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.654 HD12 HG23 ' A' ' 76' ' ' VAL . 1.5 mp -70.02 -30.32 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.381 . . . . 0.0 110.667 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.649 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.4 mm -68.19 -54.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.868 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.99 -8.78 0.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' A' ' 80' ' ' ARG . 2.9 mmp_? -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.951 0.405 . . . . 0.0 110.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD12 HG11 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -114.05 -24.36 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' HG22 ' A' ' 89' ' ' VAL . 27.5 t70 -71.22 89.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.6 mmm -76.81 -31.87 57.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.95 -21.53 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.303 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.34 25.07 59.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.903 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -87.85 7.97 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.34 -12.56 58.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.718 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 41.8 mt-30 -132.24 142.33 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 81' ' ' LEU . 45.4 t -94.77 130.16 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.67 150.01 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -43.34 -60.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.977 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.0 mt-10 -42.58 -47.88 5.28 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.0 -42.5 69.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -80.05 -42.42 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -54.46 -24.03 11.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.683 0.277 . . . . 0.0 111.542 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.0 m -84.48 -38.14 20.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.77 -36.67 26.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.5 pt? -109.82 -6.94 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.06 -177.07 50.4 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.301 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 122.405 2.07 . . . . 0.0 112.245 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.5 -27.15 19.28 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.45 2.1 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -72.57 -30.12 64.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -99.91 105.96 38.08 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.92 144.67 93.69 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.473 2.115 . . . . 0.0 112.418 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.46 137.97 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m -142.66 -35.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.83 -174.42 1.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.37 -69.48 0.34 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.93 171.82 17.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.272 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.5 mmt -140.26 28.31 2.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -74.32 -45.73 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 57.36 88.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.74 -59.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.39 149.79 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.597 0.237 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -53.23 -86.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m 43.38 77.92 0.06 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -47.87 107.03 0.67 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.52 -53.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.57 2.18 . . . . 0.0 112.811 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -126.83 93.43 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.68 33.08 4.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.0 pt? -97.8 -26.88 14.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.7 p -103.44 -29.29 11.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.32 27.58 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -66.04 -20.89 66.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.136 0.493 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.69 154.59 56.09 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.918 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -80.78 33.63 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.598 2.198 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 t -119.21 134.25 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -179.21 136.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG23 ' HG3' ' A' ' 34' ' ' GLU . 1.6 mp -93.51 123.0 61.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.29 150.79 76.61 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.377 2.051 . . . . 0.0 112.114 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -35.37 -46.28 0.37 Allowed 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.496 0.498 . . . . 0.0 112.263 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -45.7 -68.77 0.17 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.656 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HG3' HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -68.52 -19.26 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 38' ' ' ILE . 13.5 tp -67.59 -35.45 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.661 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 47.7 mt-10 -56.96 -31.73 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.702 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.44 -36.19 77.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 35' ' ' LEU . 80.4 mt -65.72 -52.8 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -59.49 -66.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.317 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.6 mm-40 -38.79 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.537 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.76 -82.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 4.9 m-85 -72.32 -24.35 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -65.15 -39.88 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.2 m -68.26 -34.62 67.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.816 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 54.2 m-85 -61.87 -17.96 58.39 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.203 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -78.12 99.49 6.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -60.68 -39.3 87.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.783 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.82 -19.24 55.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 13.2 18.22 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.79 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.01 1.31 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.41 -14.18 65.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.3 m-85 -112.22 146.22 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -115.76 104.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.255 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -60.79 175.98 0.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.687 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.66 -51.27 65.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 56' ' ' GLN . 7.4 mm-40 -57.31 -33.24 67.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 -179.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.62 -46.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.163 0.506 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.49 -28.26 66.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 179.304 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.82 -16.89 68.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.1 m -85.08 -26.09 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.07 0.462 . . . . 0.0 110.13 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.35 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.937 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.48 -49.55 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.495 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -54.98 -30.56 59.52 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.732 0.301 . . . . 0.0 111.054 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -55.93 -37.77 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.58 -20.08 60.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.16 28.92 2.27 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.559 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.78 99.88 4.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 4.0 mpp? -76.72 110.25 11.15 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 1.0 OUTLIER -83.84 136.11 7.0 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.99 2.46 . . . . 0.0 112.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 78.0 m-20 -81.61 -174.62 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.922 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.14 -62.56 1.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.57 -19.43 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.95 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 mm-40 -73.47 -59.18 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.375 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.6 pp -55.97 -15.1 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.491 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' HD12 ' A' ' 74' ' ' LEU . 43.5 mt-10 -83.08 -38.95 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.657 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.1 m -76.63 -24.94 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 111.597 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt -81.32 -34.19 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.399 . . . . 0.0 111.29 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.601 HG13 ' HG3' ' A' ' 55' ' ' LYS . 9.2 mm -73.64 -27.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.075 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 10.7 pt20 -71.7 -12.88 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.93 -41.07 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.9 mp -81.02 -49.79 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.816 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -67.7 88.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 92.8 mmm -70.46 -51.78 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.978 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.49 -22.98 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.488 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.16 44.5 9.69 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.37 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.61 12.37 19.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.747 0.308 . . . . 0.0 111.042 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.41 6.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.831 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 93.1 mt-30 -129.04 162.1 28.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.29 124.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -87.17 153.1 21.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.04 -53.26 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.5 mt-10 -50.0 -58.94 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.83 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.19 -30.61 17.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.81 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -89.34 -21.5 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -70.52 -26.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.651 0.262 . . . . 0.0 111.501 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -90.08 -38.96 13.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.54 -28.49 45.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.406 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 38' ' ' ILE . 4.3 pp -104.39 -10.37 17.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.59 129.01 9.66 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.404 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.305 2.004 . . . . 0.0 112.177 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.646 0.26 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.18 106.3 2.01 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.541 2.161 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -89.72 -25.63 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.8 m80 -91.2 131.94 35.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 31.3 Cg_exo -61.73 136.84 64.75 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.487 2.125 . . . . 0.0 112.19 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.35 -169.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 m -91.4 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.88 140.1 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 111.175 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.61 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -64.71 161.28 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.0 mmm 55.65 55.55 7.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.937 0.399 . . . . 0.0 110.45 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.07 -30.72 61.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.225 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -130.77 -22.53 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.17 -66.46 3.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.11 137.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -85.2 137.34 33.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.6 p -128.46 20.87 6.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.549 ' HB ' HD12 ' A' ' 21' ' ' LEU . 42.0 t -73.46 137.24 77.85 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 3.0 Cg_exo -76.86 -53.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.015 2.477 . . . . 0.0 112.231 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -75.1 77.3 2.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.805 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.26 37.7 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -104.16 -21.98 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.9 m -101.43 -39.06 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.92 15.22 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.85 120.33 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -83.02 143.56 46.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.786 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.62 114.13 3.4 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.555 2.17 . . . . 0.0 112.166 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 m -134.75 128.99 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.336 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.34 27.35 9.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -78.53 130.16 72.12 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.821 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.64 149.22 90.78 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.229 1.953 . . . . 0.0 111.957 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.97 -13.02 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.77 -26.58 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 -22.99 21.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 HD12 ' A' ' 38' ' ' ILE . 9.5 tp -66.77 -30.67 70.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 39' ' ' ARG . 46.2 mt-10 -63.01 -35.26 79.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.86 -23.8 67.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 35' ' ' LEU . 77.9 mt -67.81 -52.06 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.53 -70.51 0.18 Allowed 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.297 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.98 -30.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.11 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 35.4 m-85 -77.32 -21.79 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -63.16 -39.94 96.11 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.1 m -72.29 -33.59 46.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.249 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 26.8 m-85 -61.65 -18.23 58.67 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.096 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.57 92.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.669 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -50.83 -40.21 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.071 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.65 -20.28 54.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.681 0.276 . . . . 0.0 111.605 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.02 13.6 20.47 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.98 -2.51 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.711 0.291 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -21.42 46.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.608 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -112.47 129.29 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 21.9 mt -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.394 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -103.73 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.106 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.634 ' HB3' HD13 ' A' ' 74' ' ' LEU . 25.1 mtmm -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -59.75 -32.5 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -75.16 -47.42 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.21 -19.65 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.16 -20.33 76.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.771 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.4 m -84.98 -27.43 26.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.125 0.488 . . . . 0.0 110.065 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.21 -44.44 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.256 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.86 -48.93 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.742 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.87 -32.2 63.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 111.089 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.9 t -56.5 -38.1 71.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.35 -19.96 48.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.845 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.54 18.98 5.13 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.482 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 81.1 m-85 -121.06 106.59 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.768 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.6 mtp -90.8 107.68 22.31 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.142 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 95.1 Cg_endo -86.16 136.7 5.0 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.573 2.182 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 18.7 m120 -78.97 177.18 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.75 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 0.0 111.244 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.01 -20.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.39 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.1 mm-40 -75.26 -47.99 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.601 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.0 pp -61.36 -13.94 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.545 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 74' ' ' LEU . 46.4 mt-10 -83.63 -27.65 28.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.795 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 73' ' ' GLU . 19.0 m -89.44 -19.5 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.7 mt -81.13 -46.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.46 HG13 ' HA ' ' A' ' 55' ' ' LYS . 19.4 mm -67.09 -17.68 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -84.72 -9.66 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 16.5 mmm180 -82.03 -31.12 31.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -99.71 -40.09 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.432 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.94 82.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.016 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 84' ' ' ASP . 24.9 ptt? -61.53 -47.96 83.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.651 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 83' ' ' MET . 11.2 p-10 -71.2 -28.1 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 111.302 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.21 45.69 8.7 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.416 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.54 10.38 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 0.0 110.75 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.29 -13.5 33.08 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.415 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -133.89 154.75 50.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.6 t -97.71 128.53 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.03 149.94 23.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -48.72 -54.74 13.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.705 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.7 mt-10 -53.31 -53.09 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 111.583 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.98 -22.79 11.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.739 0.304 . . . . 0.0 111.252 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.2 -41.96 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 92' ' ' GLU . 32.8 m -58.14 -32.15 43.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.6 m -82.31 -45.51 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 111.684 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 81' ' ' LEU . 81.5 mt -59.24 -26.72 65.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.427 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -98.66 -12.44 21.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.8 -125.07 4.92 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.577 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.249 1.075 0 C-N-CA 122.458 2.105 . . . . 0.0 112.277 -179.743 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.597 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 25.7 ttt . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 92.7 Cg_endo -83.65 40.97 0.97 Allowed 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.105 1.87 . . . . 0.0 112.816 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -108.61 -34.22 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.53 135.33 23.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.49 113.98 3.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.318 2.012 . . . . 0.0 112.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -116.6 90.22 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.6 p -99.34 -48.42 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.71 128.03 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.22 60.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.225 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.8 mp -120.25 128.81 53.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -109.13 150.73 27.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.35 7.53 9.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 53.63 29.08 8.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.7 137.86 0.2 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.4 tp -125.61 126.86 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.039 0.447 . . . . 0.0 111.087 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 57.81 56.06 5.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 m 62.09 -83.49 0.02 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.579 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.68 139.89 97.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.25 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.88 -55.28 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.81 2.34 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -157.99 55.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.78 14.78 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.062 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 23' ' ' SER . 3.9 pp -70.03 -25.82 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 22' ' ' LEU . 44.6 t -109.59 -3.78 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.11 -3.22 29.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -67.3 -14.3 62.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.7 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -70.91 159.27 86.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.638 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.57 52.71 3.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.579 2.186 . . . . 0.0 112.452 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.576 HG12 ' H ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -103.78 174.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.576 ' H ' HG12 ' A' ' 28' ' ' VAL . 27.7 t70 71.81 155.95 0.16 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.131 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.7 mp -53.04 132.59 50.0 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.441 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.59 150.84 63.78 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.574 2.182 . . . . 0.0 112.36 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 38.7 tt0 -36.49 -45.8 0.52 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -45.7 -69.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.759 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 38' ' ' ILE . 14.1 tp -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -54.79 -37.27 65.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -55.02 -37.75 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -66.31 -56.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 6.3 mtp180 -59.77 -69.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.259 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.2 tt0 -38.46 -30.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.26 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.6 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.4 m-85 -75.87 -27.68 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 41' ' ' ALA . 21.1 m -68.25 -33.78 62.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.546 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 24.8 m-85 -57.92 -18.14 21.22 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.459 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -68.91 92.27 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -55.4 -44.65 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.985 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.05 -15.57 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.436 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.72 24.74 54.23 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.809 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.18 -8.89 56.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.64 65.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.462 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.04 130.22 53.09 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.175 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 38.0 mt -93.26 105.78 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.837 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 71.6 m -65.23 177.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.6 mppt? -65.05 -47.26 77.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.65 -34.67 76.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.46 -48.42 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.9 -19.5 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.75 -22.55 73.7 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 55.5 m -83.99 -27.71 28.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.096 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.29 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.181 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.31 -47.84 63.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 10.8 ptm180 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 t -53.73 -34.24 58.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -85.28 -18.75 32.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.42 20.9 4.55 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.732 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -122.0 104.45 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 88.8 mmm -80.24 111.14 19.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -87.16 129.77 2.86 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.551 2.167 . . . . 0.0 112.415 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -75.98 -177.86 4.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.21 -35.61 81.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.04 -25.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.412 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.3 mm-40 -64.84 -57.93 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.99 -14.31 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.564 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' HD12 ' A' ' 74' ' ' LEU . 22.8 mm-40 -83.13 -31.92 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.515 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.4 m -89.49 -23.71 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 111.628 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.7 mt -81.13 -30.63 11.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.279 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.572 HG13 ' HG3' ' A' ' 55' ' ' LYS . 26.5 mm -85.24 -22.79 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.755 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -74.5 -16.86 60.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.1 -45.02 43.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.3 mp -80.23 -43.15 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.25 80.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.039 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.8 mtp -71.45 -48.62 48.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.704 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 16.7 p-10 -68.05 -20.85 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.522 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 37.7 30.5 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.326 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.9 p-10 -80.66 -19.84 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.13 -24.94 11.92 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -126.56 167.78 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.84 122.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.386 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -86.8 149.76 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -50.17 -50.34 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.3 mt-10 -54.23 -50.59 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.669 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.99 -25.63 63.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.872 0.368 . . . . 0.0 111.033 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 38.5 t80 -81.64 -51.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 92' ' ' GLU . 4.9 m -54.63 -36.79 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.481 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -61.05 -51.27 69.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.683 0.278 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 pp -77.4 -5.38 49.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -102.01 17.99 21.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.67 -171.71 21.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.248 1.016 0 C-N-CA 122.403 2.069 . . . . 0.0 112.353 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.42 109.85 0.71 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.294 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -103.88 -15.7 15.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -100.62 101.76 16.58 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.2 142.09 78.61 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.285 1.99 . . . . 0.0 112.217 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t 57.78 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.351 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.6 m -71.18 -57.49 4.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 110.95 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -63.57 1.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp 58.34 -85.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.3 ptp -151.15 133.22 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.18 -33.47 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 52.0 77.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.24 -50.18 0.02 OUTLIER Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.792 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -92.12 151.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.71 0.29 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -109.48 57.73 0.61 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.4 p -64.66 119.82 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.029 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -95.56 153.67 39.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.17 -60.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.492 2.128 . . . . 0.0 112.826 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -149.85 -43.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.686 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.44 15.43 7.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.509 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 23' ' ' SER . 3.3 pp -78.81 -13.06 60.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.428 ' N ' HD12 ' A' ' 22' ' ' LEU . 44.9 t -106.66 -18.78 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -117.71 34.77 4.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -82.98 13.68 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.76 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.03 156.48 57.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.38 46.74 2.2 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.677 2.251 . . . . 0.0 112.766 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -98.74 149.17 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 56.73 70.75 0.62 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -102.86 132.82 20.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 33' ' ' ASP . 9.4 Cg_endo -52.2 152.1 15.68 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.853 2.369 . . . . 0.0 111.575 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -3.92 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.988 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.5 t70 -52.92 -33.25 49.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.992 0.425 . . . . 0.0 110.043 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -20.22 23.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD13 ' C ' ' A' ' 35' ' ' LEU . 2.9 tm? -63.46 -48.21 78.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.48 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 43.9 mt-10 -70.46 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.343 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -85.67 -22.52 27.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' HB ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mt -59.51 -57.29 12.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 110.41 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HB3' ' HE3' ' A' ' 43' ' ' LYS . 9.9 ptm180 -62.21 -44.5 96.43 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.642 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 23.0 mm-40 -38.78 -36.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 111.025 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -73.39 -73.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.511 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 13.4 m-85 -70.16 -44.96 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -49.49 -47.62 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -61.51 -35.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.582 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.7 m-85 -56.4 -18.98 12.75 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.708 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.18 110.31 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.966 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -74.05 -32.99 63.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.901 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.21 -13.35 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.18 18.53 20.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.957 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -75.37 -1.46 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.89 -8.06 80.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 13.4 m-85 -116.03 151.81 34.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 67.4 mt -117.06 134.72 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -99.1 -178.26 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.615 ' HB3' HD13 ' A' ' 74' ' ' LEU . 43.9 mtmt -65.51 -47.12 77.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.077 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.42 -28.49 70.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.8 -54.6 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.97 -20.44 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.334 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.97 -20.52 72.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.705 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -90.22 -24.53 20.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.045 0.45 . . . . 0.0 110.312 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.03 -42.18 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 mmt -66.97 -45.85 76.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.574 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.17 -29.1 67.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.0 t -58.95 -38.13 78.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.02 -18.41 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.24 10.95 9.25 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.614 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.29 90.63 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.96 112.15 16.6 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.6 138.67 5.42 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.587 2.191 . . . . 0.0 112.201 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -72.96 170.47 14.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.39 -14.12 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.07 0.462 . . . . 0.0 110.05 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.64 -27.49 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.671 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 10.3 mm-40 -76.13 -54.15 7.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.909 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.1 pp -52.69 -19.11 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 74' ' ' LEU . 47.6 mt-10 -78.54 -35.68 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.356 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -87.23 -20.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.58 -43.12 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.741 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.0 mm -66.43 -23.94 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -80.85 -10.88 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.889 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 31.2 mmt180 -80.63 -29.58 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.31 -45.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.68 84.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtt -71.15 -32.7 69.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.69 -23.6 64.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.25 35.69 77.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.67 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.23 16.79 20.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.44 1.91 53.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 91.1 mt-30 -141.45 150.08 41.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.0 131.08 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.32 157.25 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' O ' HG13 ' A' ' 95' ' ' VAL . 33.5 t80 -51.12 -54.06 28.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.608 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 95' ' ' VAL . 47.3 mt-10 -47.51 -59.46 3.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.767 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.45 -25.34 3.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.756 0.312 . . . . 0.0 111.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -90.37 -25.49 20.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 91' ' ' PHE . 2.7 m -72.67 -33.82 45.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.719 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.4 m -79.56 -48.2 14.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.638 0.256 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.86 -23.18 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 tt -99.23 -16.55 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.62 68.13 0.5 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.59 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.45 2.1 . . . . 0.0 112.24 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 66.5 mtt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 95.7 Cg_endo -79.02 138.81 14.75 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.033 1.822 . . . . 0.0 112.325 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -103.47 -0.99 29.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.74 148.5 36.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.89 110.19 2.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.375 2.05 . . . . 0.0 112.395 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -136.6 -23.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 m 62.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.266 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.07 155.17 28.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -9.94 59.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.9 mt 56.15 -169.61 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.189 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -161.29 176.57 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.84 -60.34 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -83.92 -166.9 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.86 -141.5 10.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.331 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 15' ' ' ILE . 9.8 tp -170.15 124.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' HB3' ' H ' ' A' ' 17' ' ' THR . 4.0 m-85 50.18 -157.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.378 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 ' H ' ' HB3' ' A' ' 16' ' ' TYR . 51.3 m 65.0 93.1 0.07 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.377 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -88.56 127.86 54.97 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.12 -53.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.573 2.182 . . . . 0.0 113.259 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -104.61 117.9 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -153.67 3.4 0.28 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -78.16 -29.29 48.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.4 p -67.9 -9.48 45.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -117.09 -33.36 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -156.48 130.5 8.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HB2' HG22 ' A' ' 28' ' ' VAL . 69.6 mtp180 -94.63 154.27 40.07 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.783 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.76 8.54 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.383 . . . . 0.0 112.847 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 26' ' ' ARG . 20.5 m -92.67 134.76 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.14 83.84 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.4 mm -96.42 130.07 31.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.37 148.56 43.48 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.323 2.016 . . . . 0.0 112.125 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -50.75 -17.64 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.674 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.43 -37.55 83.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.487 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -83.78 -23.32 31.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 120.805 0.336 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 38' ' ' ILE . 4.2 tp -69.91 -29.68 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.414 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.41 -28.93 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.21 -23.0 61.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD12 ' A' ' 35' ' ' LEU . 65.8 mt -65.57 -52.36 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mpt_? -61.75 -68.48 0.32 Allowed 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.64 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.05 -78.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -75.62 -19.67 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -67.21 -40.08 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.567 0.222 . . . . 0.0 111.225 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -71.61 -36.72 60.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 29.0 m-85 -58.91 -18.17 30.92 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.584 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -74.43 100.37 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -67.03 -37.98 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.834 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.85 -16.31 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 111.349 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.52 20.52 24.0 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.146 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -78.25 -2.89 40.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.064 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 98.36 -20.67 49.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.774 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.83 131.48 55.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 6.7 mt -95.71 112.78 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.441 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 58.3 m -72.88 -179.15 3.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.8 mppt? -65.18 -50.58 65.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.75 -34.31 69.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -47.48 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.586 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -59.93 -27.41 66.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.121 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.0 -19.96 61.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.5 m -84.32 -31.67 24.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.066 0.46 . . . . 0.0 110.191 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.39 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.138 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.28 -52.58 64.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -58.83 -29.13 66.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.292 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.769 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.47 -18.06 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.74 14.41 7.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.88 90.68 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.657 0.265 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -71.89 111.99 12.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -87.7 135.33 3.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.619 2.213 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 36.9 m-80 -75.48 175.69 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.59 -29.35 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.34 -23.97 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.8 mm-40 -70.79 -53.88 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.8 -14.24 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.513 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 74' ' ' LEU . 43.2 mm-40 -85.45 -33.85 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.144 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -86.95 -26.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.577 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.7 mt -80.91 -25.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.571 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.0 mm -84.64 -24.93 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.664 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -77.76 -17.31 57.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.816 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -74.64 -43.54 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HG21 ' A' ' 89' ' ' VAL . 5.8 mt -81.91 -39.52 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.625 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.46 83.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.753 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.3 mtt -77.79 -46.36 21.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.664 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 12.3 p-10 -68.65 -20.93 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.01 42.19 16.63 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.427 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.7 p-10 -90.59 -8.97 48.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.87 0.335 . . . . 0.0 111.176 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.14 -27.79 18.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 48.4 mt-30 -122.48 161.31 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG21 HD12 ' A' ' 81' ' ' LEU . 60.7 t -95.32 128.31 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.426 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.48 151.35 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -49.38 -54.65 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.575 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' VAL . 42.4 mt-10 -47.58 -59.9 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.68 -33.05 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -88.53 -24.16 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -70.43 -28.93 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.502 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.1 m -84.89 -41.05 16.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.83 -30.2 32.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.484 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.63 -10.72 16.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.789 0.328 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . -92.09 -111.1 1.82 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.563 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 35.5 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.433 2.089 . . . . 0.0 112.248 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.61 124.73 5.87 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.575 2.184 . . . . 0.0 112.499 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -67.35 -20.96 65.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -97.05 143.13 25.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.81 115.25 3.79 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.541 2.161 . . . . 0.0 112.441 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.52 -2.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.284 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 m -136.18 135.62 39.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.211 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.9 125.68 31.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -6.31 53.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.8 mm? -64.34 -63.28 1.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.422 ' HG3' ' H ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -86.68 129.87 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.782 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -90.72 -12.63 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.219 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -144.99 158.2 43.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.41 -75.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.209 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.53 HD13 ' H ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -127.7 153.75 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 120.626 0.251 . . . . 0.0 110.734 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -153.44 131.88 12.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 m -91.36 82.48 5.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.26 149.03 97.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.78 -55.27 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.436 2.091 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -175.13 65.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.37 12.33 20.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -96.43 -36.16 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.672 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -110.32 15.01 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.3 1.41 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -78.5 -98.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -71.87 138.63 82.56 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.785 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.5 5.8 3.53 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.09 99.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.424 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 179.46 95.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG21 ' HG2' ' A' ' 34' ' ' GLU . 34.7 mm -86.2 131.07 47.52 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.76 148.59 91.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.433 2.089 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.28 -17.29 0.68 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.806 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 17.2 t70 -55.88 -31.47 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' HG2' HG21 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -90.74 -20.25 22.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.762 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.95 -38.35 79.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 33' ' ' ASP . 11.3 pt-20 -57.57 -27.98 63.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 110.754 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.85 -33.52 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -62.1 -48.93 86.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.559 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 39.8 mtp180 -63.25 -61.9 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.9 mt-10 -39.21 -29.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.93 -81.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 11.0 m-85 -74.58 -27.18 60.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -64.18 -39.79 94.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.9 m -68.74 -33.34 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.4 m-85 -58.96 -18.15 31.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.17 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -77.78 94.15 4.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.899 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -55.83 -35.97 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.59 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.06 -20.11 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.7 19.24 19.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.768 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -72.79 -2.04 18.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.41 -6.17 65.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.661 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -126.1 144.17 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.505 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.7 mt -108.0 124.02 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.247 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -85.55 179.23 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 78' ' ' ILE . 4.0 mppt? -63.94 -50.42 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.329 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -58.25 -37.22 74.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -74.14 -45.98 45.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.917 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 58' ' ' LEU . 2.6 tm? -59.84 -26.19 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.02 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.57 -18.65 63.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.737 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 36.3 m -90.31 -22.23 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.27 34.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.962 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.8 mmm -64.48 -42.17 96.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.625 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 60' ' ' THR . 4.4 ptm180 -59.33 -23.27 62.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.87 0.367 . . . . 0.0 110.6 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.4 t -75.45 10.34 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.691 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.8 mt -120.23 -20.66 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 18.77 5.01 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.073 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 115.75 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.572 0.225 . . . . 0.0 110.554 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -100.34 100.58 12.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.367 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.5 150.44 24.92 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.426 2.084 . . . . 0.0 112.209 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 24.3 p30 -98.8 -169.83 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.286 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.89 -44.36 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.32 -19.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.9 mm-40 -72.98 -56.58 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 74' ' ' LEU . 43.9 mt-10 -81.72 -36.84 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.563 0.22 . . . . 0.0 111.58 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -83.32 -25.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 111.748 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -80.92 -28.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.429 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.618 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.9 mm -83.98 -25.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.929 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -76.12 -9.44 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -76.03 -49.99 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.831 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -81.72 -40.97 21.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.65 81.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 17.5 ptp -77.23 -41.81 39.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.718 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.59 -22.61 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.002 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.39 37.86 40.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.607 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.982 0.391 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.2 -21.21 20.33 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.82 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -127.05 155.53 43.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.25 122.88 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.46 150.13 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -46.68 -53.15 12.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.835 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.568 ' O ' HG12 ' A' ' 95' ' ' VAL . 40.9 mt-10 -49.76 -54.73 17.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.911 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.61 -36.27 45.11 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -88.77 -18.45 27.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -76.61 -26.68 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.103 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.9 m -83.84 -42.67 16.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.91 -14.4 63.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tt -110.99 -28.63 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.42 74.4 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.397 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.618 2.212 . . . . 0.0 112.168 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.464 0.174 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.44 131.67 11.76 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.442 2.095 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.87 -18.81 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.766 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -83.99 126.17 70.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.38 134.73 60.51 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.355 2.037 . . . . 0.0 112.232 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.97 155.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 m -105.85 88.88 2.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.62 49.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.23 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' HD12 ' A' ' 10' ' ' LEU . . . -85.31 -38.35 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.2 mp -107.69 132.25 53.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.746 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtt -121.25 29.4 7.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -82.74 -42.5 17.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -69.71 -24.41 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.42 28.56 6.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.655 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 tt -162.58 147.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -76.46 148.34 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.901 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -91.92 -40.08 11.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.641 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' HB ' HD23 ' A' ' 21' ' ' LEU . 30.4 m -59.2 145.63 80.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.15 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.85 -60.62 0.71 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.373 2.048 . . . . 0.0 112.427 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' HB2' ' HB3' ' A' ' 23' ' ' SER . 20.5 p-10 -178.82 50.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.262 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.514 HD23 ' HB ' ' A' ' 18' ' ' VAL . 4.0 mm? -76.18 -15.57 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 pp -101.82 -3.54 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' ASN . 44.0 t -100.89 -59.66 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 26' ' ' ARG . 11.1 mm-40 -117.49 -36.78 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.302 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 69.95 -13.79 0.4 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.016 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HG3' HG22 ' A' ' 28' ' ' VAL . 15.6 ptm180 -75.42 135.38 72.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -87.86 74.98 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.738 2.292 . . . . 0.0 112.628 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.509 HG22 ' HG3' ' A' ' 26' ' ' ARG . 17.8 m -139.58 173.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.148 0.499 . . . . 0.0 111.675 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -128.69 136.35 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.467 HG23 ' HG3' ' A' ' 34' ' ' GLU . 38.7 mm -93.46 112.91 58.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.53 151.04 75.62 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.55 2.167 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -40.08 -40.48 1.08 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.077 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' HB2' ' OE1' ' A' ' 34' ' ' GLU . 16.1 m-20 -46.3 -58.21 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.609 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HG3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -71.3 -24.06 62.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.676 0.274 . . . . 0.0 110.66 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 HD12 ' A' ' 38' ' ' ILE . 59.6 tp -64.77 -34.92 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.495 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.95 -33.37 68.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.393 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.23 -31.31 72.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 HD12 ' A' ' 35' ' ' LEU . 18.6 mt -68.52 -46.59 79.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 26.8 mtp180 -69.79 -70.38 0.29 Allowed 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 44' ' ' VAL . 40.4 tt0 -39.2 -31.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.715 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.18 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.7 m-85 -78.06 -26.7 48.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HZ1' ' HD1' ' A' ' 91' ' ' PHE . 2.9 tppt? -61.46 -39.07 89.54 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.392 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -71.78 -34.63 52.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.991 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 21.2 m-85 -56.28 -18.4 10.49 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.474 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.93 92.6 0.1 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.853 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.86 -45.3 74.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.02 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.56 -20.1 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.527 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.7 19.68 58.6 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.141 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.86 -7.01 18.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.939 0.399 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.72 -10.43 59.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -125.67 145.6 50.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.141 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 HD23 ' A' ' 58' ' ' LEU . 23.2 mt -104.07 116.12 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 111.226 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 41.1 t -79.9 179.48 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.473 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.9 mppt? -61.32 -59.59 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -52.84 -34.84 56.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.696 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.55 -47.74 45.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.586 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -59.69 -25.3 64.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.775 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.99 -21.75 73.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.88 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.0 m -80.77 -27.09 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -51.57 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.143 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.68 -53.26 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.814 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -53.86 -34.89 60.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.389 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -54.47 -36.84 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.687 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -81.61 -18.43 44.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.74 21.74 4.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 68.4 m-85 -127.78 102.91 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.692 0.282 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.32 109.51 23.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.137 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -89.33 143.02 4.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.662 2.241 . . . . 0.0 112.298 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' HD22 ' A' ' 74' ' ' LEU . 4.7 p30 -91.96 179.55 5.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.4 pt-20 -58.9 -23.2 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.02 -21.72 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mm-40 -88.18 -54.76 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -54.44 -15.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.576 0.227 . . . . 0.0 111.595 -178.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 74' ' ' LEU . 38.5 mt-10 -80.75 -47.35 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.476 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.1 m -69.89 -21.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.67 -27.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 55' ' ' LYS . 10.2 mm -81.6 -25.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.641 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.58 -9.7 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.454 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HE ' ' HA ' ' A' ' 80' ' ' ARG . 1.3 mmp_? -79.4 -32.61 42.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 89' ' ' VAL . 6.2 mt -99.01 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.54 82.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.921 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 mtp -76.04 -40.29 53.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.541 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -69.07 -24.6 64.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.735 0.302 . . . . 0.0 111.518 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.28 46.04 6.72 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.536 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.9 9.62 43.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.0 110.694 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.32 -16.6 7.34 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -129.09 161.61 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 81' ' ' LEU . 47.5 t -92.7 126.26 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.14 149.87 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.504 ' HD1' ' HZ1' ' A' ' 43' ' ' LYS . 23.2 t80 -49.15 -56.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.739 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 95' ' ' VAL . 44.6 mt-10 -52.22 -55.63 19.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 111.887 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.4 -24.61 12.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.56 -34.93 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.4 m -65.5 -31.62 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.413 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.523 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 58.0 m -76.56 -46.55 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.334 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.02 -14.96 58.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.3 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.3 tt -108.22 -24.55 11.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.15 100.45 1.11 Allowed Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.673 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 96' ' ' THR . 60.5 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 122.38 2.053 . . . . 0.0 112.38 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.523 0.202 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.7 0.72 8.93 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.676 2.251 . . . . 0.0 112.606 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -103.07 10.89 37.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.015 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -61.12 155.94 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.68 155.23 43.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.4 2.067 . . . . 0.0 112.119 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 m -115.74 134.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.484 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 m 58.64 -86.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.516 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.12 117.06 3.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.73 67.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.2 tp -93.2 88.33 6.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.637 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 16.8 tpt -123.54 152.23 42.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -62.13 -14.19 34.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.277 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' H ' ' HG3' ' A' ' 11' ' ' MET . 15.9 ptm180 -162.04 147.8 13.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.97 -150.31 7.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 tp -144.06 145.4 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.762 0.315 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -108.4 160.34 15.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -145.63 -30.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 m -100.07 122.11 51.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 11.6 Cg_endo -88.48 -59.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.852 2.368 . . . . 0.0 112.352 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -130.2 94.63 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.502 HD22 ' C ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -131.69 -5.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.6 pt? -62.04 -24.76 67.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.7 t -110.12 -51.62 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.85 -18.18 64.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 61.43 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.35 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -54.36 152.49 11.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.047 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -81.52 32.45 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.705 2.27 . . . . 0.0 112.752 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.17 164.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -178.16 161.34 1.47 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.0 mm -60.96 136.69 93.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -49.77 150.54 9.15 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.821 2.348 . . . . 0.0 112.559 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.66 -14.59 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.084 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.29 -52.17 22.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.502 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.1 -18.93 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.321 . . . . 0.0 111.009 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 38' ' ' ILE . 5.7 tp -77.67 -32.19 52.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.612 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.02 -37.59 85.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.537 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.4 -29.66 70.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 HD12 ' A' ' 35' ' ' LEU . 19.0 mt -64.7 -39.93 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.007 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 24.8 mtp180 -63.55 -69.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -38.97 -31.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.01 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 45.8 m-85 -76.47 -25.87 54.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.4 tppt? -61.52 -36.73 81.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.463 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 41' ' ' ALA . 26.9 m -74.44 -34.25 35.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.075 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 37.3 m-85 -61.52 -18.02 57.33 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.158 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.97 87.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.825 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.72 -36.24 62.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.871 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -78.33 -20.34 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.305 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.14 16.56 19.82 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.782 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -73.0 -0.84 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.668 0.271 . . . . 0.0 111.269 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 -17.58 58.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.652 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 3.1 m-85 -114.36 150.7 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.4 mt -118.7 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.395 . . . . 0.0 111.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -82.3 -179.19 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.595 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.575 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 3.8 mppt? -65.42 -49.57 68.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.36 -45.25 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -60.13 -27.47 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.077 179.31 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.42 -20.77 67.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.5 m -86.33 -25.07 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -47.89 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.67 -51.02 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -53.68 -33.15 54.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 111.077 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -58.47 -41.03 84.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.28 -19.27 58.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.04 16.41 5.78 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.42 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.46 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 84.3 m-85 -121.3 100.63 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.598 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -85.79 108.68 17.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -88.74 136.78 3.21 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.93 175.32 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.689 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.62 -26.11 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -89.81 -23.53 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -74.8 -55.02 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.519 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.4 pp -53.27 -16.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.687 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' N ' HD12 ' A' ' 74' ' ' LEU . 17.1 mm-40 -78.01 -37.37 47.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.555 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 HD12 ' A' ' 77' ' ' ILE . 18.0 m -90.23 -38.34 10.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 76' ' ' VAL . 1.8 mp -58.22 -38.33 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -69.19 -30.4 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.778 -179.387 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 77.5 mt-30 -71.42 -12.94 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.568 0.223 . . . . 0.0 111.497 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.82 -31.91 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.27 -37.06 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.227 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.11 87.88 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.94 -59.88 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -68.6 -21.86 64.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.428 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.24 44.43 13.54 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.491 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.13 12.99 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 110.535 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.8 -16.14 16.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.375 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 38.1 mt-30 -128.86 160.23 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.667 0.27 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.04 129.47 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.294 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -87.95 154.44 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 95' ' ' VAL . 34.1 t80 -50.27 -57.12 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.802 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.4 mt-10 -45.48 -58.47 3.35 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.17 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.87 -28.52 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -88.37 -24.77 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 92' ' ' GLU . 1.8 m -69.48 -30.97 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.654 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 m -81.14 -46.05 15.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.652 0.263 . . . . 0.0 111.502 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.65 -22.26 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt -105.27 -16.71 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.54 176.35 43.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.496 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo . . . . . 0 C--O 1.248 1.012 0 C-N-CA 122.633 2.222 . . . . 0.0 112.309 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.553 0.216 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.95 156.13 40.51 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.475 2.117 . . . . 0.0 112.231 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -73.25 -6.92 49.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.25 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.7 149.97 96.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.58 155.46 45.01 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.3 p -102.76 23.77 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.215 0.531 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.6 m -58.53 110.38 0.97 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 -175.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.1 -70.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.223 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.1 mm? -100.46 -79.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.9 tpt 64.32 4.16 2.07 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -90.24 -57.63 2.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -115.07 157.03 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.27 38.99 2.64 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.747 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.46 140.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -157.5 90.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 4.8 m -61.1 109.84 2.47 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 6.3 Cg_exo -74.32 -53.62 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.692 2.261 . . . . 0.0 112.16 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -137.58 105.27 5.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -135.94 4.76 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.585 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.9 pt? -71.18 -38.19 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 56.6 m -107.15 5.44 27.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.986 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 1.8 mp0 -104.35 35.66 2.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.04 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 67.14 115.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.232 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -98.79 153.67 37.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.42 117.24 4.69 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.521 2.147 . . . . 0.0 112.228 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.82 169.34 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 60.2 -170.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mm -84.78 130.47 52.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.796 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.12 150.35 84.8 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.385 2.057 . . . . 0.0 112.236 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -48.6 -12.61 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.964 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.87 -32.01 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.603 0.239 . . . . 0.0 110.986 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.92 -22.79 29.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.864 0.364 . . . . 0.0 110.775 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 38' ' ' ILE . 5.4 tp -63.97 -33.77 76.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.408 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.31 -29.0 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.34 -32.61 72.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 35' ' ' LEU . 10.5 mt -66.74 -58.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.283 0.563 . . . . 0.0 110.767 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 61.4 mtp180 -60.99 -61.87 2.27 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.373 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.45 -33.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 111.559 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.45 -82.71 0.03 OUTLIER 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 42.2 m-85 -78.43 -25.89 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.6 tppt? -61.78 -39.25 91.01 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 28.4 m -69.89 -34.96 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 C-N-CA 120.194 -0.603 . . . . 0.0 110.899 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 30.3 m-85 -58.52 -17.99 25.72 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.447 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.21 88.68 1.15 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.769 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -53.88 -42.67 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.63 -19.27 53.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.225 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.24 25.99 60.88 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.29 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -74.01 -10.05 59.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.867 0.334 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.93 -20.56 31.12 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.638 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.51 140.62 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.267 . . . . 0.0 110.421 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 28.2 mt -99.89 113.35 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.264 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.497 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 33.5 t -71.13 177.92 3.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.72 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.8 mppt? -62.05 -57.16 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.516 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -56.32 -31.67 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.729 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.67 -48.65 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.783 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 78' ' ' ILE . 5.2 tp -61.74 -21.62 64.68 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.17 -22.66 70.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.849 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 HH21 ' A' ' 63' ' ' ARG . 85.0 m -81.38 -32.08 33.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.2 0.524 . . . . 0.0 109.739 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.35 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.244 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.6 -51.44 59.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.833 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.554 HH21 HG23 ' A' ' 60' ' ' THR . 40.5 ptt180 -55.83 -31.58 62.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.727 0.298 . . . . 0.0 110.992 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 t -55.03 -34.8 63.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.65 -19.32 52.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.87 13.16 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 76.0 m-85 -117.98 103.62 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.638 0.256 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.5 mtt -87.52 108.9 22.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 69.8 Cg_endo -89.62 144.6 4.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.56 171.94 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.401 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' HD22 ' A' ' 74' ' ' LEU . 10.1 pt-20 -61.22 -19.67 61.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -19.67 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.22 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.2 mm-40 -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.298 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.1 pt? -56.38 -14.43 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 111.388 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' HD23 ' A' ' 74' ' ' LEU . 46.0 mt-10 -84.92 -33.92 22.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.275 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.3 m -84.09 -20.6 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.788 0.328 . . . . 0.0 111.57 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 74' ' ' LEU . 7.3 mt -80.71 -25.92 11.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.617 HG13 ' HG3' ' A' ' 55' ' ' LYS . 15.8 mm -74.92 -29.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.815 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -78.46 -9.18 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.576 0.227 . . . . 0.0 111.41 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -79.34 -34.05 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -100.43 -36.46 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -73.31 87.64 1.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -54.59 -55.94 24.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.3 p-10 -68.81 -21.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.59 48.4 43.67 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.408 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 4.9 p-10 -87.69 13.16 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 110.782 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.96 -14.47 32.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 45.7 mt-30 -132.86 139.16 47.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.92 129.52 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -91.35 150.24 21.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.241 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.81 -56.57 11.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.831 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' VAL . 44.5 mt-10 -45.82 -56.21 5.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.998 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -48.45 -35.27 12.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.673 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -90.43 -20.47 22.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.91 -28.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.237 -179.411 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 m -83.21 -44.35 15.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.35 -15.53 60.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.7 tt -112.02 -26.27 8.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.54 99.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.508 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.325 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.482 0.182 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.13 148.02 30.53 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.416 2.077 . . . . 0.0 112.435 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -81.09 10.81 4.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -102.45 101.61 20.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.65 164.0 32.92 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.565 2.177 . . . . 0.0 112.389 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.77 -45.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -156.27 -62.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.23 167.06 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -70.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.51 127.35 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.504 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.14 -168.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -56.4 -51.53 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 55.66 79.01 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.57 90.16 1.14 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.355 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -129.89 135.53 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 43.23 75.49 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.514 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -101.44 99.32 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 21' ' ' LEU . 11.8 m -91.66 119.55 68.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.11 -58.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.651 2.234 . . . . 0.0 112.137 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -124.03 105.75 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.52 16.8 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.746 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -107.72 -20.05 13.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.59 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.5 m -82.9 -51.89 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.44 -30.25 30.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.631 ' HG3' ' H ' ' A' ' 26' ' ' ARG . 3.1 tp-100 58.48 -173.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.823 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.631 ' H ' ' HG3' ' A' ' 25' ' ' GLN . 16.9 ptm180 -59.0 147.35 74.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.855 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 11.4 Cg_exo -70.55 145.65 53.17 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.717 2.278 . . . . 0.0 112.424 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 m -128.42 168.15 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 61.22 -155.47 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.39 131.15 72.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.155 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.17 147.13 78.45 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.285 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -47.79 -23.72 0.8 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.843 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.26 -41.28 65.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.608 0.242 . . . . 0.0 111.579 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.46 -22.28 35.28 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.958 0.408 . . . . 0.0 110.788 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 38' ' ' ILE . 18.7 tp -74.53 -33.32 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.37 -33.07 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.68 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -72.71 -35.22 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 35' ' ' LEU . 64.1 mt -61.06 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -68.27 -70.42 0.26 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -39.1 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.05 -79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 28.0 m-85 -78.31 -27.44 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -58.24 -39.62 79.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.7 m -71.56 -36.42 60.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.914 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 36.4 m-85 -59.72 -18.14 40.34 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.344 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -70.44 89.37 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -51.75 -41.48 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.683 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.06 -20.23 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.45 17.59 33.38 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.059 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -77.59 6.35 7.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 0.0 111.044 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.47 -13.94 65.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.27 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -116.72 138.7 51.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 31.0 mt -106.67 118.33 54.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -74.87 -179.86 4.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.605 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.4 mppt? -66.43 -49.04 68.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -57.94 -37.61 74.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -73.47 -46.26 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.78 -24.61 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.258 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.97 -19.34 69.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.845 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.418 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 60.8 m -86.48 -28.93 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.04 0.448 . . . . 0.0 110.378 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -43.01 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.316 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 97.4 mmm -67.59 -50.02 60.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 16.3 ptm180 -60.63 -27.87 68.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.108 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.5 t -55.94 -37.61 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.14 -12.34 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.22 16.58 8.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -126.22 93.17 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -84.1 112.27 39.68 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.24 -179.703 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 5.5 Cg_endo -85.53 151.44 10.31 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.889 2.392 . . . . 0.0 112.106 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -83.84 169.48 15.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -57.5 -28.81 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -86.32 -19.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.554 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.8 mm-40 -84.15 -48.74 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.452 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.7 pp -55.61 -14.32 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.39 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HG3' HD12 ' A' ' 74' ' ' LEU . 47.1 mt-10 -85.77 -38.85 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.6 m -77.07 -27.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.701 0.286 . . . . 0.0 111.651 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.0 -27.44 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.207 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' HG3' ' A' ' 55' ' ' LYS . 8.1 mm -82.07 -22.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.871 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -80.42 -14.04 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -79.61 -31.61 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -70.41 81.68 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.0 mtm -73.08 -43.85 61.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.928 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.18 -21.24 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.11 37.89 27.61 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 113.26 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.2 6.72 45.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.833 0.317 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.68 -18.37 15.71 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -124.73 165.68 17.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 111.008 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.2 t -107.5 129.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -91.63 150.76 21.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' O ' HG13 ' A' ' 95' ' ' VAL . 26.7 t80 -48.82 -51.55 28.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.491 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.7 mt-10 -52.72 -53.59 45.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.266 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.96 -22.35 37.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -90.47 -30.04 17.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.3 m -74.11 -32.83 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.4 m -76.82 -47.78 20.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.669 0.271 . . . . 0.0 111.499 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.21 -23.34 67.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt -100.55 -17.55 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.99 81.52 0.31 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.486 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.565 2.176 . . . . 0.0 112.418 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.779 0.324 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.01 -19.45 61.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.166 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.54 -27.84 56.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.05 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.41 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -38.76 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.92 -82.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -73.77 -20.31 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tppt? -69.23 -40.85 77.68 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.452 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.9 m -66.8 -34.23 68.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.041 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 39.6 m-85 -60.69 -18.24 52.82 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -72.96 96.16 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -60.81 -36.54 79.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.686 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.09 -20.46 52.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.467 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 14.94 16.52 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.788 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.26 -2.9 17.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.5 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.555 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -123.2 150.96 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.738 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 27.2 mt -113.92 121.21 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -85.71 178.2 7.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 22.7 mtmm -60.61 -58.7 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.514 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -52.22 -31.24 31.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.42 -47.5 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.2 tm? -60.46 -28.88 68.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.2 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.36 -20.27 65.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.906 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.48 -22.33 24.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.165 0.507 . . . . 0.0 110.178 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.39 -49.72 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.218 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.5 mtp -59.78 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.609 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -53.9 -32.65 54.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.108 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -58.96 -40.76 85.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.583 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.12 -20.31 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 17.82 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.412 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 17.1 m-85 -126.0 92.03 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.508 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -82.51 110.84 24.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.222 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.3 Cg_endo -89.99 148.33 4.73 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.661 2.241 . . . . 0.0 112.444 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -84.35 169.87 14.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HA ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -62.49 -14.95 47.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.135 179.157 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.78 -26.56 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.669 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' VAL . 9.4 mm-40 -90.02 -47.54 7.77 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.581 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -54.4 -14.54 1.26 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.704 0.287 . . . . 0.0 111.426 -178.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 74' ' ' LEU . 47.2 mt-10 -80.7 -38.22 29.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.399 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.9 m -82.12 -19.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.723 0.297 . . . . 0.0 111.714 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.94 -33.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.564 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' HA ' ' A' ' 55' ' ' LYS . 7.7 mm -71.89 -28.81 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.77 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 11.0 pt20 -76.37 -9.7 58.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.744 0.307 . . . . 0.0 110.905 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -79.08 -33.22 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -94.28 -39.99 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.048 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.18 84.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.417 ' HG2' ' OE1' ' A' ' 93' ' ' GLU . 21.3 ptp -77.43 -37.99 50.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.634 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.18 -26.01 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.579 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.2 58.64 2.42 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.239 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -112.38 5.06 17.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.691 0.282 . . . . 0.0 111.101 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.51 -18.82 16.99 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.605 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.29 165.58 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 36.3 t -102.74 132.25 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -93.33 153.19 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.62 -58.38 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.9 mt-10 -46.09 -59.35 2.93 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 83' ' ' MET . 37.8 mt-10 -46.44 -40.95 13.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.866 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 79.3 t80 -84.82 -21.29 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -77.49 -30.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.426 -179.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.6 m -75.0 -47.09 30.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.292 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.11 -14.35 62.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.662 0.267 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.0 -25.25 67.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 110.675 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.41 -27.43 60.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.98 -52.23 51.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 10.4 mtp180 -64.51 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.31 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -38.38 -31.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -67.91 -83.68 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 23.9 m-85 -75.05 -19.5 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.0 tppt? -67.43 -38.67 84.91 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -70.18 -34.63 59.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.032 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.0 m-85 -60.82 -18.06 53.37 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.007 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.31 90.1 4.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.609 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -55.3 -34.84 64.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.288 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.46 -19.99 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.364 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.01 12.32 22.04 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.052 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.533 HD21 HE22 ' A' ' 88' ' ' GLN . 17.9 p-10 -67.77 -4.72 13.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.689 0.281 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.93 -19.83 52.66 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.216 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.64 129.71 56.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.68 0.276 . . . . 0.0 110.5 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.8 mt -92.87 134.38 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 111.454 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.8 m -91.83 176.14 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.272 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.59 -50.23 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 111.034 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.59 -38.33 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -43.83 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.73 -26.23 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.866 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.51 -18.2 69.57 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.827 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 37.9 m -87.63 -24.57 23.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.21 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.3 -46.51 55.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.953 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.6 mmm -61.66 -49.42 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 11.5 ptp180 -57.5 -29.69 64.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.05 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 t -57.79 -37.33 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -76.51 -16.38 59.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.64 11.01 8.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.615 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 27.5 m-85 -122.98 94.42 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.664 0.269 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.1 ptm -78.11 111.57 19.33 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.563 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -90.2 144.6 4.14 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.829 2.352 . . . . 0.0 112.171 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.613 HD22 ' H ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -86.56 179.28 6.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.76 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.23 -19.95 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.349 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.613 ' H ' HD22 ' A' ' 70' ' ' ASN . 39.0 t -90.33 -30.57 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.672 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.539 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 28.0 mm-40 -72.61 -52.81 13.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.695 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 75' ' ' GLU . 2.8 pp -54.16 -16.9 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HG2' HD12 ' A' ' 74' ' ' LEU . 31.8 mm-40 -82.71 -32.84 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -89.1 -22.8 6.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -80.89 -24.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 111.592 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.578 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.1 mm -79.56 -35.25 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.9 pt20 -62.56 -27.43 69.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.526 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.438 ' HB2' HD22 ' A' ' 81' ' ' LEU . 2.9 mmp_? -60.0 -38.92 84.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.352 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 81' ' ' LEU . 2.3 mm? -91.18 -45.63 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.195 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.65 83.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.1 ptp -84.03 -44.28 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.005 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -68.45 -20.69 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.18 57.43 2.65 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.021 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -108.22 4.74 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.11 2.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.533 HE22 HD21 ' A' ' 50' ' ' ASN . 52.5 mt-30 -130.78 150.06 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.667 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.99 120.72 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -83.71 157.49 22.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.43 -59.78 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.749 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' HA ' HG12 ' A' ' 95' ' ' VAL . 45.6 mt-10 -50.07 -55.93 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.723 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -46.21 -37.59 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -91.04 -23.73 20.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 92' ' ' GLU . 1.3 p -75.7 -26.97 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.5 m -87.55 -47.67 8.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.721 0.295 . . . . 0.0 111.377 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.96 -20.62 58.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.679 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 38' ' ' ILE . 15.6 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.806 0.336 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.96 -34.33 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.27 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.665 HD12 HD12 ' A' ' 35' ' ' LEU . 22.8 mt -68.65 -44.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 12.8 mtp180 -69.09 -68.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.371 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -38.96 -31.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.95 -81.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 5.3 m-85 -74.05 -30.25 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tppt? -58.22 -39.38 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.6 m -71.96 -34.63 51.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 40.8 m-85 -60.57 -17.88 49.08 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -76.54 97.4 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -54.71 -39.85 68.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.945 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.41 -19.4 53.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.77 15.51 27.21 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.802 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -74.59 4.0 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 111.24 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.16 -16.4 58.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.1 m-85 -112.9 136.11 52.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.3 mt -108.4 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.582 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -66.09 -178.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.487 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.6 mppt? -64.58 -55.61 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -51.55 -42.52 61.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.578 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.57 -45.74 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.053 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.13 -26.92 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.008 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.56 -21.7 67.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.02 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.7 m -88.54 -21.77 23.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -46.91 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.084 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmt -63.63 -49.81 71.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.538 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -32.06 63.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.9 t -55.85 -36.5 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.12 -17.11 51.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.88 19.06 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 54.9 m-85 -126.39 90.88 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.2 ptm -85.99 109.93 26.6 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 73.3 Cg_endo -88.65 151.66 6.23 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.751 2.3 . . . . 0.0 112.265 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 74' ' ' LEU . 32.3 m-80 -85.94 171.69 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.687 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.1 pt-20 -60.04 -23.82 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -91.23 -19.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.9 mm-40 -87.59 -55.04 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.2 pt? -54.63 -15.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' HD23 ' A' ' 74' ' ' LEU . 45.4 mt-10 -82.74 -32.57 27.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.529 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.519 ' HA ' HE21 ' A' ' 79' ' ' GLN . 26.3 m -89.53 -26.99 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.546 HG23 HH21 ' A' ' 80' ' ' ARG . 6.0 mt -73.24 -38.39 54.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.548 HG13 ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.25 -43.59 82.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.471 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.519 HE21 ' HA ' ' A' ' 76' ' ' VAL . 46.2 mt-30 -52.11 -41.61 62.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.601 0.238 . . . . 0.0 111.416 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.546 HH21 HG23 ' A' ' 77' ' ' ILE . 62.9 mtm180 -45.99 -38.85 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.555 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.8 mp -91.59 -40.01 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.52 84.34 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mtp -59.99 -48.19 82.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.375 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.48 -21.08 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.61 38.47 68.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.569 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.16 -16.38 53.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.001 0.401 . . . . 0.0 110.496 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.23 -21.74 23.94 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.715 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.6 mt-30 -128.77 133.47 48.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.48 126.93 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.732 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -87.24 154.13 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.02 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 95' ' ' VAL . 19.0 t80 -45.84 -57.97 3.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.968 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' VAL . 45.9 mt-10 -51.44 -51.76 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.784 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.8 -25.3 18.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.783 0.325 . . . . 0.0 111.254 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -90.37 -36.77 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' GLU . 15.9 m -62.7 -30.7 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.536 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.4 m -78.94 -47.02 17.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 0.0 111.479 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -22.93 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.734 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.7 -30.0 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.705 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.3 -29.82 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.218 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -70.7 -49.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.011 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.0 mtp180 -68.0 -70.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.416 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -39.06 -31.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -64.52 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 32.3 m-85 -77.12 -28.33 54.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.2 -40.46 77.47 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.358 -0.137 . . . . 0.0 111.29 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.4 m -73.17 -35.84 48.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 25.2 m-85 -58.41 -18.59 29.3 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.56 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -71.2 90.73 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.099 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 47' ' ' ARG . 20.2 mtm180 -54.87 -40.56 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.619 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.78 -19.33 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.88 19.0 19.99 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.045 -0.597 . . . . 0.0 113.075 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -74.63 0.67 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.763 0.316 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.78 -11.03 66.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.05 143.72 49.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.733 0.302 . . . . 0.0 110.484 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 15.0 mt -109.69 109.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 111.566 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -69.45 -178.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.12 -50.51 67.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 111.517 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.85 -35.88 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.483 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.19 -49.2 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.294 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -19.72 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.87 70.0 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.741 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.6 m -89.99 -21.96 22.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.128 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.164 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.85 -47.52 65.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.669 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -56.96 -26.15 59.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.5 t -60.98 -43.32 99.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.12 -16.64 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.37 9.4 10.42 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 62.9 m-85 -121.53 96.85 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.619 0.247 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -79.88 111.41 21.35 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -89.11 147.79 5.51 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -96.35 -175.24 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.868 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.575 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -86.77 -19.58 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.699 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 mm-40 -85.05 -50.86 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.84 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.5 pp -55.74 -13.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.527 ' HG3' HD12 ' A' ' 74' ' ' LEU . 48.8 mt-10 -87.27 -30.58 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.8 m -90.11 -25.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.92 -22.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.719 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.639 HG13 ' HG3' ' A' ' 55' ' ' LYS . 28.2 mm -90.05 -17.98 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 12.0 pt20 -81.71 -14.03 57.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -82.02 -51.24 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.77 -41.2 68.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.097 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -69.43 82.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mtp -77.6 -45.32 25.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.444 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.1 p30 -68.17 -9.59 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.394 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.06 31.79 80.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.254 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.55 -12.93 60.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 -30.45 10.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.27 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -118.52 174.45 6.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.4 123.55 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.429 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.45 149.36 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.983 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.09 -32.82 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.0 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.7 mt-10 -71.75 -51.49 22.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.359 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.68 -20.46 48.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.332 . . . . 0.0 111.061 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -89.11 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.58 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.8 m -56.48 -32.18 35.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 m -77.92 -46.22 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.711 0.264 . . . . 0.0 111.711 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.73 -18.21 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.676 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.715 0.293 . . . . 0.0 111.243 179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 38' ' ' ILE . 5.3 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.628 0.251 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.73 -27.73 66.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.774 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.13 -26.94 56.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.579 HD12 HD12 ' A' ' 35' ' ' LEU . 23.3 mt -70.33 -48.23 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 13.0 mtp180 -68.27 -70.83 0.24 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.398 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -38.83 -31.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.91 -77.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.1 m-85 -77.88 -20.58 52.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 5.4 tppt? -67.03 -37.77 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.067 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.9 m -73.32 -35.35 46.2 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.028 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.5 m-85 -60.49 -18.07 49.25 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.39 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -73.03 90.75 1.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.951 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -54.08 -40.09 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.812 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.2 -20.11 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 111.144 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.08 20.05 40.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.005 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.88 -0.22 23.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 -18.8 56.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -113.77 139.59 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 13.8 mt -103.16 121.7 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.074 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.9 m -83.64 -177.86 6.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.9 mppt? -64.76 -51.62 61.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 111.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -59.19 -28.28 66.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.406 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -83.4 -50.1 8.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.546 ' O ' HD13 ' A' ' 58' ' ' LEU . 1.4 tm? -60.05 -27.09 66.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.217 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.54 -19.98 71.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -87.61 -21.36 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.197 0.522 . . . . 0.0 110.162 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.36 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.306 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.59 -44.79 96.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.491 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.28 -24.4 64.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -75.68 12.52 1.02 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 mt -120.7 -20.44 7.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.9 15.78 6.09 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.17 89.97 2.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.721 0.296 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.22 111.17 4.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.1 135.23 3.79 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.596 2.198 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.605 HD22 ' H ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -93.23 -177.84 4.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.42 -22.66 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.605 ' H ' HD22 ' A' ' 70' ' ' ASN . 21.6 t -90.0 -23.69 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.573 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.2 mm-40 -77.41 -55.57 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.883 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -56.93 -14.1 3.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 74' ' ' LEU . 53.5 mm-40 -88.6 -29.53 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 24.1 m -90.35 -26.05 5.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.16 -30.18 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.636 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.69 HG13 ' HG3' ' A' ' 55' ' ' LYS . 22.0 mm -77.58 -21.38 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.903 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -83.11 -16.65 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 80' ' ' ARG . 3.6 mmp_? -80.1 -26.31 39.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.739 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 89' ' ' VAL . 6.5 mt -98.89 -42.23 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.71 88.25 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.0 mmt -83.08 -45.44 14.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.107 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.52 -19.4 64.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.14 53.59 4.12 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.095 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -109.2 6.14 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.787 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.02 -18.67 7.46 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.823 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -123.32 163.71 20.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 81' ' ' LEU . 41.4 t -94.03 134.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.527 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -92.63 149.33 21.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.65 -25.11 66.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.86 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.4 mt-10 -75.42 -50.43 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.42 -23.52 49.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.916 0.388 . . . . 0.0 111.056 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.25 -46.44 9.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.071 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.9 m -55.73 -33.42 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -75.59 -46.49 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -19.94 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.708 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.925 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.805 0.336 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.95 -32.26 63.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -33.95 77.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.26 -53.26 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 37.2 mtp180 -64.74 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.522 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -38.62 -31.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.11 -79.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.8 m-85 -77.44 -31.04 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.7 tppt? -55.37 -40.26 71.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.355 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 41' ' ' ALA . 30.7 m -71.86 -36.43 58.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.214 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.4 m-85 -59.73 -18.27 41.41 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.488 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.22 90.79 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.113 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -58.23 -34.86 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.51 -19.14 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.93 17.95 24.19 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.063 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -81.47 0.81 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.31 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.48 -15.89 62.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.2 m-85 -112.62 141.78 45.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.694 0.283 . . . . 0.0 110.657 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 23.5 mt -113.59 111.41 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.9 t -69.5 179.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.633 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.3 mppt? -65.67 -47.88 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.91 -35.86 71.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.91 -48.68 34.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -19.91 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.25 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 -24.31 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.522 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 m -81.76 -32.77 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.1 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.016 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mmm -64.14 -49.82 70.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.49 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -63.22 -26.71 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -55.73 -37.41 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.59 -16.25 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.55 19.18 7.13 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.346 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.5 96.43 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.06 110.66 4.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.95 129.8 3.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.476 2.118 . . . . 0.0 112.708 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.656 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 20.2 m120 -71.8 154.97 40.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.411 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HA ' HD21 ' A' ' 74' ' ' LEU . 10.8 pt-20 -60.21 -17.46 41.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.87 -30.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.015 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.0 mm-40 -74.07 -49.26 24.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.685 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -54.74 -14.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.659 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.11 -37.1 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.331 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.7 m -84.57 -22.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.597 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -81.41 -30.21 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.651 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.58 HG13 ' HG3' ' A' ' 55' ' ' LYS . 19.7 mm -84.03 -20.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.971 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 5.2 pp0? -80.37 -12.9 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 90.7 mtt180 -76.23 -47.61 23.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.694 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 81' ' ' LEU . 6.8 mp -80.34 -41.86 24.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -65.63 86.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.0 mmt -70.89 -54.76 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.01 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.45 -14.73 63.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.91 46.52 44.53 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 8.31 40.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.64 -15.77 28.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.5 mt-30 -131.65 161.62 32.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.58 131.84 54.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.53 155.78 18.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -48.14 -60.86 2.31 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -44.43 -56.42 4.26 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.55 -32.44 28.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.341 . . . . 0.0 111.448 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -90.43 -19.79 23.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 92' ' ' GLU . 2.0 p -80.01 -28.73 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 111.566 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 m -82.43 -44.05 16.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.6 -26.31 68.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.552 179.854 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 38' ' ' ILE . 3.8 tp . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.811 0.339 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 44.1 tt0 -62.51 -36.33 82.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.366 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.45 -22.28 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.404 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 35' ' ' LEU . 95.8 mt -61.49 -68.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.163 0.506 . . . . 0.0 111.264 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.728 ' HB2' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -63.71 -46.39 85.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.749 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.643 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 5.0 tm-20 -51.18 -20.7 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 111.154 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -80.04 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 6.0 m-85 -73.18 -19.13 61.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.04 -35.63 56.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.598 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ALA . 17.1 m -68.04 -30.71 49.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 45.2 m-85 -65.57 -19.7 66.02 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.893 0.378 . . . . 0.0 110.188 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.74 92.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.258 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.92 -37.87 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.45 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.35 -19.64 53.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.36 23.18 40.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.677 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.626 HD22 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -76.19 -3.73 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.089 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 97.65 -8.61 63.99 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.633 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' H ' HD22 ' A' ' 50' ' ' ASN . 4.4 m-85 -122.09 149.22 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.731 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.0 mt -113.05 128.34 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.8 t -93.75 -178.09 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' A' ' 74' ' ' LEU . 4.0 mppt? -63.58 -48.22 78.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -61.83 -31.04 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.703 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.54 -49.34 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.3 -22.01 64.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.69 71.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.558 HG23 ' HE ' ' A' ' 63' ' ' ARG . 27.2 m -86.55 -29.39 22.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.335 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.41 -50.29 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.1 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.454 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . 23.9 mmt -57.51 -48.88 78.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.849 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.558 ' HE ' HG23 ' A' ' 60' ' ' THR . 23.6 ptt180 -59.96 -23.69 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.805 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.9 t -79.89 13.08 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.19 -20.25 7.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.469 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.7 15.08 6.47 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.932 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.431 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 28.3 m-85 -131.07 114.85 15.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.677 0.275 . . . . 0.0 110.416 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.9 ptp -85.09 110.13 26.22 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.193 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' MET . 71.8 Cg_endo -90.08 133.94 2.07 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.61 2.207 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -83.85 175.16 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.57 -16.59 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.492 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -24.63 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.13 -50.31 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.756 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -55.34 -14.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.792 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -82.99 -35.76 25.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.485 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.63 -35.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.19 -29.19 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.228 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.644 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -67.72 -37.74 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.449 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -59.62 -39.82 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.282 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -50.88 -57.41 8.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -73.0 -48.5 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.34 77.82 2.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.9 mtm -65.82 -32.94 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.29 -20.7 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.18 28.47 73.71 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.8 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -86.54 -2.56 58.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 -12.15 67.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.764 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 94.6 mt-30 -133.13 151.32 52.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.948 0.404 . . . . 0.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.02 129.57 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.334 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.283 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 14.7 t80 -46.26 -58.0 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.382 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 95' ' ' VAL . 43.0 mt-10 -48.8 -51.49 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -54.24 -27.34 34.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -83.27 -48.35 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -58.51 -27.42 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.9 m -74.07 -53.78 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.46 -18.8 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 111.288 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 38' ' ' ILE . 8.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.58 -37.1 84.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.974 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -29.61 69.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 35' ' ' LEU . 69.6 mt -64.53 -55.32 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.035 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -59.93 -68.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.41 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.08 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 112.117 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -74.95 -22.76 58.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.46 -40.65 93.45 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.6 m -69.9 -34.22 59.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.441 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.2 m-85 -58.85 -18.22 30.78 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.368 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -78.32 95.31 5.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.684 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -55.46 -37.07 67.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.175 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.553 ' HB2' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -84.66 -20.58 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.619 0.247 . . . . 0.0 111.611 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.71 54.28 34.04 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.32 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -101.18 -3.24 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.61 -10.16 64.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.89 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -126.51 129.94 49.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.717 0.294 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 11.4 mt -99.13 129.46 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.428 . . . . 0.0 111.535 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 m -86.18 179.89 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.655 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -67.73 -48.9 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.716 0.293 . . . . 0.0 110.947 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.89 -42.39 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.58 -44.77 85.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -60.84 -21.61 63.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.93 -25.32 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.005 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.51 -21.9 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 0.0 110.35 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.42 -44.84 50.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.351 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.34 -49.43 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.887 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -53.68 -26.47 22.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.675 0.274 . . . . 0.0 111.267 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -62.11 -41.9 98.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.845 0.355 . . . . 0.0 110.652 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.32 -18.9 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.79 -0.85 17.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 60.7 m-85 -108.91 113.3 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -90.27 108.0 23.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.322 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 65.6 Cg_endo -89.9 152.63 4.94 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.642 HD22 ' H ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -99.97 -179.04 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.758 179.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.94 -22.33 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.642 ' H ' HD22 ' A' ' 70' ' ' ASN . 21.0 t -90.07 -23.79 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.616 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.519 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mm-40 -80.97 -50.49 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.66 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.1 pp -54.67 -13.79 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -85.92 -33.16 21.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.683 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.14 -23.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.6 mt -78.47 -31.99 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 111.313 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.655 HG13 ' HG3' ' A' ' 55' ' ' LYS . 10.0 mm -67.42 -51.35 53.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.759 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.84 -8.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -70.61 -34.51 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.688 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD13 ' A' ' 97' ' ' LEU . 2.8 mt -107.64 -30.72 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.463 ' HB2' HG22 ' A' ' 89' ' ' VAL . 28.6 t0 -72.06 84.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.375 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.74 -34.92 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.068 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.86 -26.15 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.82 29.48 67.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.823 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.45 16.03 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.08 -5.25 27.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.932 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -132.5 139.42 47.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 82' ' ' ASP . 52.8 t -97.76 126.31 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.27 153.95 20.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.944 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.67 -45.78 63.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.485 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.614 ' O ' HG12 ' A' ' 95' ' ' VAL . 46.6 mt-10 -52.6 -59.71 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.788 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.42 -34.85 26.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -86.46 -20.37 28.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.904 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -74.77 -29.63 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.427 -179.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.8 m -80.98 -42.18 21.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.437 HD13 HD22 ' A' ' 81' ' ' LEU . 86.0 mt -54.67 -33.96 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD11 HD13 ' A' ' 38' ' ' ILE . 4.5 pp . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 38' ' ' ILE . 13.2 tp . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.879 0.371 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.82 -37.7 71.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.222 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.47 -40.84 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 35' ' ' LEU . 81.4 mt -58.19 -53.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.03 -68.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.6 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.99 -80.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 25.0 m-85 -77.31 -20.91 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.5 tppt? -66.04 -40.53 91.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.2 m -69.4 -34.64 63.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.764 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.6 m-85 -61.92 -18.21 59.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.303 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -78.24 100.55 6.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.126 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -67.12 -37.41 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.52 -19.19 56.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.91 24.97 29.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.019 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -79.95 -4.63 53.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.56 -19.28 45.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -116.81 137.92 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.68 0.276 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 10.8 mt -100.12 113.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.747 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 66.0 m -64.64 171.56 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.198 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.13 -47.55 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.351 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -63.02 -28.58 70.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.04 -50.96 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -19.53 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.6 -19.76 71.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.559 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.5 m -89.93 -23.41 21.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.233 0.539 . . . . 0.0 109.716 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.32 -39.55 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.023 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.0 mmm -68.54 -44.39 74.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.622 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -56.34 -29.26 61.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.884 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 t -60.57 -37.9 82.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.259 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.68 -21.06 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.805 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.85 21.2 4.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.465 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 90.0 m-85 -121.25 109.98 15.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.464 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -98.77 101.26 11.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.7 Cg_endo -88.11 143.28 5.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.774 2.316 . . . . 0.0 112.318 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 35.5 m-80 -83.7 -173.14 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.77 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.56 -33.37 74.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.46 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.14 -23.61 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.765 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.5 mm-40 -69.6 -51.1 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.734 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.9 pp -57.01 -13.83 3.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 74' ' ' LEU . 44.2 mt-10 -83.34 -33.17 25.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.628 0.251 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.9 m -88.58 -24.33 6.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.8 mt -81.01 -28.09 11.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 0.0 111.423 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.626 HG13 ' HG3' ' A' ' 55' ' ' LYS . 14.0 mm -82.97 -23.61 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.822 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.62 -21.91 54.87 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.021 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -66.82 -48.75 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.224 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -76.87 -38.76 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.0 80.47 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.845 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.1 mtp -80.57 -37.76 30.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.248 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -20.23 64.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.63 33.88 36.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -84.19 -2.53 57.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.098 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.747 ' NE2' ' HA ' ' A' ' 54' ' ' SER . 3.2 mm100 -122.75 165.93 15.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.793 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.1 117.4 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -86.55 152.22 22.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -46.12 -46.82 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -52.99 -53.83 44.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.815 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.34 -38.39 58.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.945 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -86.78 -19.54 28.91 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.86 -24.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.496 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -87.35 -38.33 16.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.25 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.65 -39.89 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.37 -179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.808 0.337 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.73 -26.81 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.13 -24.77 51.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.264 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 98' ' ' LEU . 51.5 mt -67.37 -51.24 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 7.9 mtp180 -60.06 -67.97 0.34 Allowed 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.54 -31.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.57 -80.63 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.0 m-85 -78.81 -22.48 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -63.38 -35.82 81.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.053 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 41' ' ' ALA . 25.9 m -76.86 -33.59 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.101 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.548 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 22.1 m-85 -57.49 -18.0 16.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.884 0.373 . . . . 0.0 110.31 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.92 93.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.917 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -54.95 -50.14 69.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.312 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.08 -20.34 49.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 111.246 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.73 31.02 74.02 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.573 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -76.03 -0.88 23.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.11 0.455 . . . . 0.0 110.793 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 0.64 58.64 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.428 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.15 154.68 50.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 110.326 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 25.6 mt -116.69 101.2 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 32.9 t -66.45 -178.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.31 -47.63 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 111.214 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -59.31 -40.65 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.66 -49.02 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -19.57 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.239 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.79 -24.3 72.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 63' ' ' ARG . 40.0 m -87.74 -20.57 26.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.04 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.26 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.124 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 94.7 mmm -69.64 -48.2 60.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.549 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 60' ' ' THR . 6.2 ptp180 -54.27 -32.51 56.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.049 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -56.8 -41.63 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.33 -18.7 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.53 24.94 3.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.452 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.53 99.72 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.11 109.3 29.87 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.22 146.63 11.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.615 2.21 . . . . 0.0 112.302 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.459 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 37.1 m-80 -83.74 176.03 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.15 -34.01 65.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -24.62 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.646 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 19.5 mm-40 -72.77 -51.91 17.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.405 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HG3' ' A' ' 75' ' ' GLU . 3.1 pp -54.7 -14.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.788 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 74' ' ' LEU . 45.9 mt-10 -86.97 -39.15 15.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.585 0.231 . . . . 0.0 111.286 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG23 HD12 ' A' ' 77' ' ' ILE . 34.4 m -83.93 -28.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.71 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.654 HD12 HG23 ' A' ' 76' ' ' VAL . 1.5 mp -70.02 -30.32 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.381 . . . . 0.0 110.667 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.649 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.4 mm -68.19 -54.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.868 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.99 -8.78 0.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 2.9 mmp_? -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.951 0.405 . . . . 0.0 110.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD12 HG11 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -114.05 -24.36 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' HG22 ' A' ' 89' ' ' VAL . 27.5 t70 -71.22 89.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.6 mmm -76.81 -31.87 57.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.95 -21.53 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.303 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.34 25.07 59.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.903 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -87.85 7.97 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.34 -12.56 58.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.718 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 41.8 mt-30 -132.24 142.33 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 81' ' ' LEU . 45.4 t -94.77 130.16 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.67 150.01 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -43.34 -60.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.977 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.0 mt-10 -42.58 -47.88 5.28 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.0 -42.5 69.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -80.05 -42.42 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -54.46 -24.03 11.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.683 0.277 . . . . 0.0 111.542 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.0 m -84.48 -38.14 20.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.77 -36.67 26.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 38' ' ' ILE . 13.5 tp . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.755 0.312 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 47.7 mt-10 -56.96 -31.73 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.702 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.44 -36.19 77.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 35' ' ' LEU . 80.4 mt -65.72 -52.8 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -59.49 -66.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.317 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.6 mm-40 -38.79 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.537 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.76 -82.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 4.9 m-85 -72.32 -24.35 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -65.15 -39.88 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.2 m -68.26 -34.62 67.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.816 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 54.2 m-85 -61.87 -17.96 58.39 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.203 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -78.12 99.49 6.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -60.68 -39.3 87.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.783 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.82 -19.24 55.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 13.2 18.22 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.79 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.01 1.31 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.41 -14.18 65.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.3 m-85 -112.22 146.22 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -115.76 104.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.255 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -60.79 175.98 0.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.687 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.66 -51.27 65.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.647 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.31 -33.24 67.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 -179.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.62 -46.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.163 0.506 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.49 -28.26 66.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 179.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.82 -16.89 68.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.1 m -85.08 -26.09 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.07 0.462 . . . . 0.0 110.13 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.35 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.937 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.48 -49.55 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.495 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -54.98 -30.56 59.52 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.732 0.301 . . . . 0.0 111.054 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -55.93 -37.77 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.58 -20.08 60.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.16 28.92 2.27 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.559 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.78 99.88 4.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 4.0 mpp? -76.72 110.25 11.15 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 1.0 OUTLIER -83.84 136.11 7.0 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.99 2.46 . . . . 0.0 112.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 78.0 m-20 -81.61 -174.62 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.922 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.14 -62.56 1.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.57 -19.43 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.95 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.529 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 mm-40 -73.47 -59.18 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.375 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.6 pp -55.97 -15.1 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.491 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' HD12 ' A' ' 74' ' ' LEU . 43.5 mt-10 -83.08 -38.95 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.657 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.1 m -76.63 -24.94 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 111.597 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt -81.32 -34.19 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.399 . . . . 0.0 111.29 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.601 HG13 ' HG3' ' A' ' 55' ' ' LYS . 9.2 mm -73.64 -27.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.075 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 10.7 pt20 -71.7 -12.88 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.93 -41.07 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.9 mp -81.02 -49.79 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.816 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -67.7 88.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 92.8 mmm -70.46 -51.78 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.978 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.49 -22.98 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.488 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.16 44.5 9.69 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.37 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.61 12.37 19.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.747 0.308 . . . . 0.0 111.042 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.41 6.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.831 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 93.1 mt-30 -129.04 162.1 28.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.29 124.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -87.17 153.1 21.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.04 -53.26 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.5 mt-10 -50.0 -58.94 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.83 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.19 -30.61 17.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.81 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -89.34 -21.5 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -70.52 -26.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.651 0.262 . . . . 0.0 111.501 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -90.08 -38.96 13.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.54 -28.49 45.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.406 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 38' ' ' ILE . 4.3 pp . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 HD12 ' A' ' 38' ' ' ILE . 9.5 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.362 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 39' ' ' ARG . 46.2 mt-10 -63.01 -35.26 79.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.86 -23.8 67.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 35' ' ' LEU . 77.9 mt -67.81 -52.06 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.53 -70.51 0.18 Allowed 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.297 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.98 -30.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.11 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 35.4 m-85 -77.32 -21.79 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -63.16 -39.94 96.11 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.1 m -72.29 -33.59 46.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.249 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 26.8 m-85 -61.65 -18.23 58.67 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.096 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.57 92.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.669 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -50.83 -40.21 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.071 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.65 -20.28 54.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.681 0.276 . . . . 0.0 111.605 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.02 13.6 20.47 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.98 -2.51 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.711 0.291 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -21.42 46.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.608 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -112.47 129.29 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 21.9 mt -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.394 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -103.73 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.106 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.634 ' HB3' HD13 ' A' ' 74' ' ' LEU . 25.1 mtmm -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.5 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -75.16 -47.42 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.21 -19.65 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.16 -20.33 76.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.771 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.4 m -84.98 -27.43 26.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.125 0.488 . . . . 0.0 110.065 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.21 -44.44 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.256 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.86 -48.93 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.742 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.87 -32.2 63.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 111.089 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.9 t -56.5 -38.1 71.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.35 -19.96 48.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.845 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.54 18.98 5.13 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.482 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 81.1 m-85 -121.06 106.59 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.768 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.6 mtp -90.8 107.68 22.31 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.142 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 95.1 Cg_endo -86.16 136.7 5.0 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.573 2.182 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 39.0 m-80 -78.97 177.18 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.75 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 0.0 111.244 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.01 -20.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.39 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.1 mm-40 -75.26 -47.99 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.601 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.0 pp -61.36 -13.94 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.545 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 74' ' ' LEU . 46.4 mt-10 -83.63 -27.65 28.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.795 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 73' ' ' GLU . 19.0 m -89.44 -19.5 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.7 mt -81.13 -46.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.46 HG13 ' HA ' ' A' ' 55' ' ' LYS . 19.4 mm -67.09 -17.68 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 76' ' ' VAL . 25.4 pt20 -84.72 -9.66 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 16.5 mmm180 -82.03 -31.12 31.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -99.71 -40.09 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.432 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.94 82.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.016 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 84' ' ' ASP . 24.9 ptt? -61.53 -47.96 83.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.651 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 83' ' ' MET . 11.2 p-10 -71.2 -28.1 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 111.302 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.21 45.69 8.7 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.416 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.54 10.38 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 0.0 110.75 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.29 -13.5 33.08 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.415 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -133.89 154.75 50.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.6 t -97.71 128.53 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.03 149.94 23.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -48.72 -54.74 13.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.705 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.7 mt-10 -53.31 -53.09 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 111.583 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.98 -22.79 11.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.739 0.304 . . . . 0.0 111.252 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.2 -41.96 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 92' ' ' GLU . 32.8 m -58.14 -32.15 43.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.6 m -82.31 -45.51 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 111.684 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 81' ' ' LEU . 81.5 mt -59.24 -26.72 65.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.427 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.737 179.887 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 38' ' ' ILE . 14.1 tp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -54.79 -37.27 65.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -55.02 -37.75 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -66.31 -56.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 6.3 mtp180 -59.77 -69.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.259 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.2 tt0 -38.46 -30.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.26 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.6 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.4 m-85 -75.87 -27.68 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 41' ' ' ALA . 21.1 m -68.25 -33.78 62.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.546 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 24.8 m-85 -57.92 -18.14 21.22 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.459 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -68.91 92.27 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -55.4 -44.65 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.985 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.05 -15.57 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.436 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.72 24.74 54.23 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.809 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.18 -8.89 56.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.64 65.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.462 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.04 130.22 53.09 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.175 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 38.0 mt -93.26 105.78 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.837 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 71.6 m -65.23 177.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.6 mppt? -65.05 -47.26 77.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.65 -34.67 76.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.46 -48.42 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.9 -19.5 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.75 -22.55 73.7 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 55.5 m -83.99 -27.71 28.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.096 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.29 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.181 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.31 -47.84 63.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 10.8 ptm180 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 t -53.73 -34.24 58.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -85.28 -18.75 32.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.42 20.9 4.55 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.732 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -122.0 104.45 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 88.8 mmm -80.24 111.14 19.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -87.16 129.77 2.86 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.551 2.167 . . . . 0.0 112.415 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -75.98 -177.86 4.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.21 -35.61 81.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.04 -25.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.412 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.3 mm-40 -64.84 -57.93 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.99 -14.31 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.564 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' HD12 ' A' ' 74' ' ' LEU . 22.8 mm-40 -83.13 -31.92 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.515 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.4 m -89.49 -23.71 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 111.628 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.7 mt -81.13 -30.63 11.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.279 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.572 HG13 ' HG3' ' A' ' 55' ' ' LYS . 26.5 mm -85.24 -22.79 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.755 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -74.5 -16.86 60.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.1 -45.02 43.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 81' ' ' LEU . 5.3 mp -80.23 -43.15 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.25 80.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.039 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.8 mtp -71.45 -48.62 48.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.704 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 16.7 p-10 -68.05 -20.85 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.522 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 37.7 30.5 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.326 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.9 p-10 -80.66 -19.84 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.13 -24.94 11.92 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 47.0 mt-30 -126.56 167.78 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.84 122.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.386 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -86.8 149.76 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -50.17 -50.34 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.3 mt-10 -54.23 -50.59 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.669 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.99 -25.63 63.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.872 0.368 . . . . 0.0 111.033 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 38.5 t80 -81.64 -51.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 92' ' ' GLU . 4.9 m -54.63 -36.79 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.481 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -61.05 -51.27 69.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.683 0.278 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 pp -77.4 -5.38 49.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.444 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.9 tm? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.972 0.415 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 43.9 mt-10 -70.46 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.343 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -85.67 -22.52 27.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' HB ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mt -59.51 -57.29 12.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 110.41 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HB3' ' HE3' ' A' ' 43' ' ' LYS . 9.9 ptm180 -62.21 -44.5 96.43 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.642 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 23.0 mm-40 -38.78 -36.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 111.025 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -73.39 -73.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.511 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 13.4 m-85 -70.16 -44.96 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -49.49 -47.62 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -61.51 -35.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.582 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.7 m-85 -56.4 -18.98 12.75 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.708 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.18 110.31 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.966 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -74.05 -32.99 63.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.901 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.21 -13.35 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.18 18.53 20.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.957 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -75.37 -1.46 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.89 -8.06 80.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 13.4 m-85 -116.03 151.81 34.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 67.4 mt -117.06 134.72 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -99.1 -178.26 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.615 ' HB3' HD13 ' A' ' 74' ' ' LEU . 43.9 mtmt -65.51 -47.12 77.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.077 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.42 -28.49 70.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.8 -54.6 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.97 -20.44 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.334 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.97 -20.52 72.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.705 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -90.22 -24.53 20.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.045 0.45 . . . . 0.0 110.312 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.03 -42.18 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 mmt -66.97 -45.85 76.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.574 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.17 -29.1 67.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.0 t -58.95 -38.13 78.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.02 -18.41 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.24 10.95 9.25 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.614 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.29 90.63 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.96 112.15 16.6 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.6 138.67 5.42 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.587 2.191 . . . . 0.0 112.201 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -72.96 170.47 14.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.39 -14.12 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.07 0.462 . . . . 0.0 110.05 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.64 -27.49 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.671 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 10.3 mm-40 -76.13 -54.15 7.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.909 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.1 pp -52.69 -19.11 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 74' ' ' LEU . 47.6 mt-10 -78.54 -35.68 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.356 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -87.23 -20.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.58 -43.12 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.741 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.0 mm -66.43 -23.94 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.85 -10.88 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.889 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 31.2 mmt180 -80.63 -29.58 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.31 -45.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.68 84.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtt -71.15 -32.7 69.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.69 -23.6 64.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.25 35.69 77.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.67 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.23 16.79 20.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.44 1.91 53.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.0 mt-30 -141.45 150.08 41.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.0 131.08 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.32 157.25 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.613 ' O ' HG13 ' A' ' 95' ' ' VAL . 33.5 t80 -51.12 -54.06 28.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.608 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 95' ' ' VAL . 47.3 mt-10 -47.51 -59.46 3.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.767 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.45 -25.34 3.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.756 0.312 . . . . 0.0 111.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -90.37 -25.49 20.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 91' ' ' PHE . 2.7 m -72.67 -33.82 45.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.719 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.4 m -79.56 -48.2 14.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.638 0.256 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.86 -23.18 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 179.853 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 38' ' ' ILE . 4.2 tp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.958 0.409 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.41 -28.93 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.21 -23.0 61.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD12 ' A' ' 35' ' ' LEU . 65.8 mt -65.57 -52.36 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mpt_? -61.75 -68.48 0.32 Allowed 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.64 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.05 -78.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -75.62 -19.67 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -67.21 -40.08 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.567 0.222 . . . . 0.0 111.225 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -71.61 -36.72 60.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 29.0 m-85 -58.91 -18.17 30.92 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.584 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -74.43 100.37 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -67.03 -37.98 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.834 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.85 -16.31 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 111.349 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.52 20.52 24.0 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.146 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -78.25 -2.89 40.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.064 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 98.36 -20.67 49.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.774 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.83 131.48 55.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 6.7 mt -95.71 112.78 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.441 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 58.3 m -72.88 -179.15 3.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.8 mppt? -65.18 -50.58 65.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.75 -34.31 69.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -47.48 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.586 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -59.93 -27.41 66.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.121 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.0 -19.96 61.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.5 m -84.32 -31.67 24.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.066 0.46 . . . . 0.0 110.191 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.39 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.138 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.28 -52.58 64.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -58.83 -29.13 66.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.292 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.769 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.47 -18.06 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.74 14.41 7.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.88 90.68 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.657 0.265 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -71.89 111.99 12.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -87.7 135.33 3.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.619 2.213 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 36.9 m-80 -75.48 175.69 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.59 -29.35 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.34 -23.97 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.8 mm-40 -70.79 -53.88 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.8 -14.24 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.513 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 74' ' ' LEU . 43.2 mm-40 -85.45 -33.85 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.144 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -86.95 -26.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.577 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.7 mt -80.91 -25.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.571 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.0 mm -84.64 -24.93 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.664 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -77.76 -17.31 57.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.816 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -74.64 -43.54 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HG21 ' A' ' 89' ' ' VAL . 5.8 mt -81.91 -39.52 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.625 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.46 83.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.753 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.3 mtt -77.79 -46.36 21.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.664 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 12.3 p-10 -68.65 -20.93 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.01 42.19 16.63 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.427 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.7 p-10 -90.59 -8.97 48.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.87 0.335 . . . . 0.0 111.176 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.14 -27.79 18.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 48.4 mt-30 -122.48 161.31 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.425 HG21 HD12 ' A' ' 81' ' ' LEU . 60.7 t -95.32 128.31 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.426 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.48 151.35 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -49.38 -54.65 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.575 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' VAL . 42.4 mt-10 -47.58 -59.9 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.68 -33.05 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -88.53 -24.16 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -70.43 -28.93 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.502 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.1 m -84.89 -41.05 16.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.83 -30.2 32.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.484 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.789 0.328 . . . . 0.0 111.018 179.839 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.686 0.279 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.57 -27.98 63.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 110.754 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.85 -33.52 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -62.1 -48.93 86.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.559 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 39.8 mtp180 -63.25 -61.9 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.9 mt-10 -39.21 -29.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.93 -81.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 11.0 m-85 -74.58 -27.18 60.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -64.18 -39.79 94.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.9 m -68.74 -33.34 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.4 m-85 -58.96 -18.15 31.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.17 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -77.78 94.15 4.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.899 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -55.83 -35.97 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.59 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.06 -20.11 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.7 19.24 19.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.768 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -72.79 -2.04 18.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.41 -6.17 65.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.661 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -126.1 144.17 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.505 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.7 mt -108.0 124.02 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.247 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -85.55 179.23 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 78' ' ' ILE . 4.0 mppt? -63.94 -50.42 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.329 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -58.25 -37.22 74.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -74.14 -45.98 45.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.917 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 58' ' ' LEU . 2.6 tm? -59.84 -26.19 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.02 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.57 -18.65 63.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.737 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 36.3 m -90.31 -22.23 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.27 34.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.962 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.8 mmm -64.48 -42.17 96.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.625 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 60' ' ' THR . 4.4 ptm180 -59.33 -23.27 62.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.87 0.367 . . . . 0.0 110.6 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.4 t -75.45 10.34 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.691 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.8 mt -120.23 -20.66 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 18.77 5.01 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.073 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 115.75 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.572 0.225 . . . . 0.0 110.554 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -100.34 100.58 12.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.367 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.5 150.44 24.92 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.426 2.084 . . . . 0.0 112.209 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 24.3 p30 -98.8 -169.83 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.286 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.89 -44.36 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.32 -19.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.9 mm-40 -72.98 -56.58 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 74' ' ' LEU . 43.9 mt-10 -81.72 -36.84 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.563 0.22 . . . . 0.0 111.58 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -83.32 -25.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 111.748 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -80.92 -28.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.429 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.618 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.9 mm -83.98 -25.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.929 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.2 pt20 -76.12 -9.44 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -76.03 -49.99 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.831 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -81.72 -40.97 21.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.65 81.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 17.5 ptp -77.23 -41.81 39.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.718 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.59 -22.61 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.002 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.39 37.86 40.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.607 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.982 0.391 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.2 -21.21 20.33 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.82 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -127.05 155.53 43.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.25 122.88 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.46 150.13 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -46.68 -53.15 12.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.835 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.568 ' O ' HG12 ' A' ' 95' ' ' VAL . 40.9 mt-10 -49.76 -54.73 17.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.911 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.61 -36.27 45.11 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -88.77 -18.45 27.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -76.61 -26.68 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.103 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.9 m -83.84 -42.67 16.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.91 -14.4 63.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 HD12 ' A' ' 38' ' ' ILE . 59.6 tp . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.902 0.382 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.95 -33.37 68.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.393 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.23 -31.31 72.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 HD12 ' A' ' 35' ' ' LEU . 18.6 mt -68.52 -46.59 79.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 26.8 mtp180 -69.79 -70.38 0.29 Allowed 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 44' ' ' VAL . 40.4 tt0 -39.2 -31.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.715 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.18 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.7 m-85 -78.06 -26.7 48.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HZ1' ' HD1' ' A' ' 91' ' ' PHE . 2.9 tppt? -61.46 -39.07 89.54 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.392 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -71.78 -34.63 52.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.991 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 21.2 m-85 -56.28 -18.4 10.49 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.474 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.93 92.6 0.1 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.853 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.86 -45.3 74.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.02 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.56 -20.1 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.527 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.7 19.68 58.6 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.141 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.86 -7.01 18.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.939 0.399 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.72 -10.43 59.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -125.67 145.6 50.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.141 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 HD23 ' A' ' 58' ' ' LEU . 23.2 mt -104.07 116.12 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 111.226 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 41.1 t -79.9 179.48 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.473 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.9 mppt? -61.32 -59.59 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.84 56.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.696 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.55 -47.74 45.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.586 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -59.69 -25.3 64.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.775 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.99 -21.75 73.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.88 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.0 m -80.77 -27.09 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -51.57 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.143 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.68 -53.26 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.814 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -53.86 -34.89 60.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.389 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -54.47 -36.84 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.687 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -81.61 -18.43 44.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.74 21.74 4.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 68.4 m-85 -127.78 102.91 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.692 0.282 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.32 109.51 23.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.137 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -89.33 143.02 4.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.662 2.241 . . . . 0.0 112.298 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' HD22 ' A' ' 74' ' ' LEU . 4.7 p30 -91.96 179.55 5.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.4 pt-20 -58.9 -23.2 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.02 -21.72 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mm-40 -88.18 -54.76 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -54.44 -15.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.576 0.227 . . . . 0.0 111.595 -178.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 74' ' ' LEU . 38.5 mt-10 -80.75 -47.35 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.476 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.1 m -69.89 -21.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.67 -27.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 55' ' ' LYS . 10.2 mm -81.6 -25.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.641 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 76' ' ' VAL . 28.7 pt20 -80.58 -9.7 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.454 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 1.3 mmp_? -79.4 -32.61 42.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 89' ' ' VAL . 6.2 mt -99.01 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.54 82.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.921 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 mtp -76.04 -40.29 53.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.541 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -69.07 -24.6 64.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.735 0.302 . . . . 0.0 111.518 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.28 46.04 6.72 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.536 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.9 9.62 43.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.0 110.694 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.32 -16.6 7.34 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -129.09 161.61 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 81' ' ' LEU . 47.5 t -92.7 126.26 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.14 149.87 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.504 ' HD1' ' HZ1' ' A' ' 43' ' ' LYS . 23.2 t80 -49.15 -56.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.739 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 95' ' ' VAL . 44.6 mt-10 -52.22 -55.63 19.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 111.887 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.4 -24.61 12.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.56 -34.93 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.4 m -65.5 -31.62 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.413 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 m -76.56 -46.55 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.334 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.02 -14.96 58.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.3 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 98' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.026 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 38' ' ' ILE . 5.7 tp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.891 0.377 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.612 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.02 -37.59 85.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.537 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.4 -29.66 70.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 HD12 ' A' ' 35' ' ' LEU . 19.0 mt -64.7 -39.93 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.007 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 24.8 mtp180 -63.55 -69.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -38.97 -31.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.01 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 45.8 m-85 -76.47 -25.87 54.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.4 tppt? -61.52 -36.73 81.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.463 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 41' ' ' ALA . 26.9 m -74.44 -34.25 35.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.075 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 37.3 m-85 -61.52 -18.02 57.33 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.158 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.97 87.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.825 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.72 -36.24 62.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.871 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -78.33 -20.34 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.305 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.14 16.56 19.82 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.782 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -73.0 -0.84 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.668 0.271 . . . . 0.0 111.269 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.427 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 98.01 -17.58 58.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.652 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' H ' HD22 ' A' ' 50' ' ' ASN . 3.1 m-85 -114.36 150.7 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.4 mt -118.7 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.395 . . . . 0.0 111.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -82.3 -179.19 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.595 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.575 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 3.8 mppt? -65.42 -49.57 68.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.36 -45.25 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -60.13 -27.47 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.077 179.31 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.42 -20.77 67.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.5 m -86.33 -25.07 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -47.89 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.67 -51.02 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -53.68 -33.15 54.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 111.077 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -58.47 -41.03 84.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.28 -19.27 58.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.04 16.41 5.78 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.42 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.46 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 84.3 m-85 -121.3 100.63 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.598 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -85.79 108.68 17.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -88.74 136.78 3.21 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.93 175.32 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.689 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.62 -26.11 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -89.81 -23.53 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -74.8 -55.02 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.519 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.4 pp -53.27 -16.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.687 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' N ' HD12 ' A' ' 74' ' ' LEU . 17.1 mm-40 -78.01 -37.37 47.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.555 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 HD12 ' A' ' 77' ' ' ILE . 18.0 m -90.23 -38.34 10.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 76' ' ' VAL . 1.8 mp -58.22 -38.33 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.503 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -69.19 -30.4 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.778 -179.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 77.5 mt-30 -71.42 -12.94 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.568 0.223 . . . . 0.0 111.497 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.82 -31.91 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.27 -37.06 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.227 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.11 87.88 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.94 -59.88 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -68.6 -21.86 64.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.428 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.24 44.43 13.54 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.491 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.13 12.99 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 110.535 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.8 -16.14 16.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.375 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' NE2' ' HB2' ' A' ' 52' ' ' PHE . 40.8 mt-30 -128.86 160.23 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.667 0.27 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.04 129.47 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.294 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -87.95 154.44 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 95' ' ' VAL . 34.1 t80 -50.27 -57.12 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.802 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.4 mt-10 -45.48 -58.47 3.35 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.17 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.87 -28.52 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -88.37 -24.77 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 92' ' ' GLU . 1.8 m -69.48 -30.97 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.654 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 m -81.14 -46.05 15.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.652 0.263 . . . . 0.0 111.502 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.65 -22.26 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.732 179.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 38' ' ' ILE . 5.4 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.913 0.387 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.31 -29.0 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.34 -32.61 72.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 35' ' ' LEU . 10.5 mt -66.74 -58.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.283 0.563 . . . . 0.0 110.767 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 61.4 mtp180 -60.99 -61.87 2.27 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.373 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.45 -33.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 111.559 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.45 -82.71 0.03 OUTLIER 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 42.2 m-85 -78.43 -25.89 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.6 tppt? -61.78 -39.25 91.01 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 28.4 m -69.89 -34.96 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 C-N-CA 120.194 -0.603 . . . . 0.0 110.899 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 30.3 m-85 -58.52 -17.99 25.72 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.447 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.21 88.68 1.15 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.769 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -53.88 -42.67 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.63 -19.27 53.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.225 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.24 25.99 60.88 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.29 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -74.01 -10.05 59.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.867 0.334 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.93 -20.56 31.12 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.638 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.51 140.62 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.267 . . . . 0.0 110.421 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 28.2 mt -99.89 113.35 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.264 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.497 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 33.5 t -71.13 177.92 3.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.72 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.8 mppt? -62.05 -57.16 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.516 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.32 -31.67 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.729 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.67 -48.65 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.783 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 78' ' ' ILE . 5.2 tp -61.74 -21.62 64.68 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.17 -22.66 70.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.849 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 HH21 ' A' ' 63' ' ' ARG . 85.0 m -81.38 -32.08 33.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.2 0.524 . . . . 0.0 109.739 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.35 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.244 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.6 -51.44 59.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.833 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.554 HH21 HG23 ' A' ' 60' ' ' THR . 40.5 ptt180 -55.83 -31.58 62.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.727 0.298 . . . . 0.0 110.992 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 t -55.03 -34.8 63.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.65 -19.32 52.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.87 13.16 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 76.0 m-85 -117.98 103.62 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.638 0.256 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.5 mtt -87.52 108.9 22.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 69.8 Cg_endo -89.62 144.6 4.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.56 171.94 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.401 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' HD22 ' A' ' 74' ' ' LEU . 10.1 pt-20 -61.22 -19.67 61.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -19.67 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.22 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.2 mm-40 -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.298 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.1 pt? -56.38 -14.43 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 111.388 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' HD23 ' A' ' 74' ' ' LEU . 46.0 mt-10 -84.92 -33.92 22.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.275 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.3 m -84.09 -20.6 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.788 0.328 . . . . 0.0 111.57 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 74' ' ' LEU . 7.3 mt -80.71 -25.92 11.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.617 HG13 ' HG3' ' A' ' 55' ' ' LYS . 15.8 mm -74.92 -29.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.815 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -78.46 -9.18 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.576 0.227 . . . . 0.0 111.41 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -79.34 -34.05 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 81' ' ' LEU . 7.0 mp -100.43 -36.46 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -73.31 87.64 1.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -54.59 -55.94 24.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.3 p-10 -68.81 -21.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.59 48.4 43.67 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.408 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.408 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 4.9 p-10 -87.69 13.16 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 110.782 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.96 -14.47 32.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 45.7 mt-30 -132.86 139.16 47.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.92 129.52 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -91.35 150.24 21.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.241 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.81 -56.57 11.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.831 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' VAL . 44.5 mt-10 -45.82 -56.21 5.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.998 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -48.45 -35.27 12.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.673 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -90.43 -20.47 22.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.91 -28.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.237 -179.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 m -83.21 -44.35 15.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.35 -15.53 60.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.7 tt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.887 179.897 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 38' ' ' ILE . 18.7 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.877 0.37 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.37 -33.07 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.68 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -72.71 -35.22 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 35' ' ' LEU . 64.1 mt -61.06 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -68.27 -70.42 0.26 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -39.1 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.05 -79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 28.0 m-85 -78.31 -27.44 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -58.24 -39.62 79.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.7 m -71.56 -36.42 60.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.914 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 36.4 m-85 -59.72 -18.14 40.34 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.344 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -70.44 89.37 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -51.75 -41.48 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.683 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.06 -20.23 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.45 17.59 33.38 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.059 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -77.59 6.35 7.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 0.0 111.044 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.47 -13.94 65.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.27 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -116.72 138.7 51.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 31.0 mt -106.67 118.33 54.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -74.87 -179.86 4.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.605 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.4 mppt? -66.43 -49.04 68.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.94 -37.61 74.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -73.47 -46.26 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.78 -24.61 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.258 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.97 -19.34 69.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.845 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.418 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 60.8 m -86.48 -28.93 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.04 0.448 . . . . 0.0 110.378 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -43.01 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.316 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 97.4 mmm -67.59 -50.02 60.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 16.3 ptm180 -60.63 -27.87 68.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.108 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.5 t -55.94 -37.61 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.14 -12.34 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.22 16.58 8.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -126.22 93.17 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -84.1 112.27 39.68 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.24 -179.703 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 5.5 Cg_endo -85.53 151.44 10.31 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.889 2.392 . . . . 0.0 112.106 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -83.84 169.48 15.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -57.5 -28.81 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -86.32 -19.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.554 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.8 mm-40 -84.15 -48.74 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.452 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.7 pp -55.61 -14.32 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.39 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HG3' HD12 ' A' ' 74' ' ' LEU . 47.1 mt-10 -85.77 -38.85 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.6 m -77.07 -27.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.701 0.286 . . . . 0.0 111.651 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.0 -27.44 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.207 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' HG3' ' A' ' 55' ' ' LYS . 8.1 mm -82.07 -22.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.871 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.42 -14.04 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -79.61 -31.61 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -70.41 81.68 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.0 mtm -73.08 -43.85 61.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.928 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.18 -21.24 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.11 37.89 27.61 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 113.26 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.2 6.72 45.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.833 0.317 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.68 -18.37 15.71 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -124.73 165.68 17.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 111.008 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.2 t -107.5 129.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -91.63 150.76 21.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.405 ' O ' HG13 ' A' ' 95' ' ' VAL . 26.7 t80 -48.82 -51.55 28.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.491 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.7 mt-10 -52.72 -53.59 45.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.266 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.96 -22.35 37.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -90.47 -30.04 17.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.3 m -74.11 -32.83 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.4 m -76.82 -47.78 20.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.669 0.271 . . . . 0.0 111.499 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.21 -23.34 67.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.38 0.133 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_endo -77.4 145.92 24.22 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.512 2.142 . . . . 0.0 112.385 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -68.34 -5.65 19.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -64.23 128.14 92.83 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.542 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.64 126.66 11.0 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.323 2.015 . . . . 0.0 112.539 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.8 t 62.94 113.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.476 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.9 p -123.45 -68.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.96 118.27 0.32 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.225 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.85 -29.39 20.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.1 mm? -87.87 -156.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.7 mtt 66.44 106.6 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -88.91 -52.54 5.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -166.72 -58.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.48 80.95 0.74 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.695 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tp -169.13 143.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.661 0.267 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -63.05 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.266 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -171.41 -3.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 ' HB ' HD12 ' A' ' 21' ' ' LEU . 18.6 m -83.69 124.97 74.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.289 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 63.5 Cg_endo -90.11 -60.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.767 2.311 . . . . 0.0 113.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -141.86 59.21 1.48 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -89.16 -5.75 57.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.21 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.691 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -95.92 -3.76 44.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.212 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -106.72 -60.75 1.62 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.181 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -130.37 -29.12 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 21' ' ' LEU . 28.8 tt0 60.2 -92.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.092 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -72.56 130.86 85.13 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 149.53 25.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.5 2.134 . . . . 0.0 112.292 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 t -111.7 111.91 38.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -175.01 119.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.847 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.8 mm -62.51 127.73 90.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 33' ' ' ASP . 38.4 Cg_endo -66.29 151.7 82.77 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.52 2.146 . . . . 0.0 112.085 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -48.89 -11.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.762 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 31' ' ' PRO . 4.5 m-20 -55.7 -24.35 33.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.598 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -25.04 20.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.514 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp -68.44 -39.85 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.086 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.01 -19.45 61.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.166 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -76.54 -27.84 56.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.658 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.05 -46.07 97.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.892 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -64.41 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.216 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -38.76 -29.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.92 -82.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.8 m-85 -73.77 -20.31 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tppt? -69.23 -40.85 77.68 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.452 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.9 m -66.8 -34.23 68.63 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.041 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 39.6 m-85 -60.69 -18.24 52.82 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.538 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -72.96 96.16 2.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.149 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -60.81 -36.54 79.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.686 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -78.09 -20.46 52.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.693 0.282 . . . . 0.0 111.467 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.68 14.94 16.52 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.788 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -71.26 -2.9 17.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.794 0.331 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.49 -6.5 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.555 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -123.2 150.96 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.738 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 27.2 mt -113.92 121.21 65.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -85.71 178.2 7.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.675 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 22.7 mtmm -60.61 -58.7 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.514 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -52.22 -31.24 31.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.42 -47.5 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.2 tm? -60.46 -28.88 68.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.2 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.36 -20.27 65.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.906 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.48 -22.33 24.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.165 0.507 . . . . 0.0 110.178 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.39 -49.72 21.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.218 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.5 mtp -59.78 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.609 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -53.9 -32.65 54.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.108 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.2 t -58.96 -40.76 85.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.583 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.8 mt -74.12 -20.31 60.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 17.82 5.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 17.1 m-85 -126.0 92.03 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.508 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -82.51 110.84 24.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.222 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.3 Cg_endo -89.99 148.33 4.73 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.661 2.241 . . . . 0.0 112.444 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -84.35 169.87 14.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.575 ' HA ' HD22 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -62.49 -14.95 47.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.973 0.416 . . . . 0.0 110.135 179.157 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.78 -26.56 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.669 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' VAL . 9.4 mm-40 -90.02 -47.54 7.77 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.581 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 0.9 OUTLIER -54.4 -14.54 1.26 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.704 0.287 . . . . 0.0 111.426 -178.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.481 ' N ' HD23 ' A' ' 74' ' ' LEU . 47.2 mt-10 -80.7 -38.22 29.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.399 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 73' ' ' GLU . 16.9 m -82.12 -19.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.723 0.297 . . . . 0.0 111.714 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.94 -33.59 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.564 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG13 ' HA ' ' A' ' 55' ' ' LYS . 7.7 mm -71.89 -28.81 31.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.77 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 11.0 pt20 -76.37 -9.7 58.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.744 0.307 . . . . 0.0 110.905 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -79.08 -33.22 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.248 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 81' ' ' LEU . 3.2 mm? -94.28 -39.99 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.048 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -74.18 84.43 1.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.417 ' HG2' ' OE1' ' A' ' 93' ' ' GLU . 21.3 ptp -77.43 -37.99 50.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.634 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -71.18 -26.01 62.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.579 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.2 58.64 2.42 Favored Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.76 -0.733 . . . . 0.0 113.239 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -112.38 5.06 17.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.691 0.282 . . . . 0.0 111.101 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.51 -18.82 16.99 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.605 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.29 165.58 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 36.3 t -102.74 132.25 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.2 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -93.33 153.19 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -49.62 -58.38 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.9 mt-10 -46.09 -59.35 2.93 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' HG2' ' A' ' 83' ' ' MET . 37.8 mt-10 -46.44 -40.95 13.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.866 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 79.3 t80 -84.82 -21.29 29.93 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -77.49 -30.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.426 -179.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.6 m -75.0 -47.09 30.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.714 0.292 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.11 -14.35 62.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -83.63 -15.2 49.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.47 179.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -122.18 -177.42 15.36 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.344 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 122.551 2.168 . . . . 0.0 112.266 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.535 0.207 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.49 132.01 27.93 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.457 2.105 . . . . 0.0 112.326 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -84.7 -12.08 54.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -96.38 119.92 63.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.78 135.26 40.81 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.425 2.083 . . . . 0.0 111.918 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.3 p -77.47 117.43 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.5 t -175.25 127.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.04 113.41 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.87 -46.44 21.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.3 mt 56.32 96.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 18.6 ptp -53.66 133.52 41.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -76.92 -32.63 57.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.768 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -166.47 117.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.654 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.53 39.67 0.84 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.634 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tp -118.08 136.55 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 111.032 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -60.24 115.5 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.215 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 56.4 m -124.98 98.66 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 21' ' ' LEU . 12.3 m -81.08 110.69 18.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.255 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 17' ' ' THR . 93.0 Cg_endo -82.19 -51.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.421 2.081 . . . . 0.0 112.843 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -143.02 81.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.029 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD13 ' HB ' ' A' ' 18' ' ' VAL . 6.4 mp -117.83 31.75 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.676 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.6 pt? -107.92 6.23 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.6 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.2 p -108.37 -34.75 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.785 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -82.15 -23.62 35.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -97.51 164.83 12.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -83.41 149.27 57.6 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.092 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.76 19.49 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.685 2.257 . . . . 0.0 112.813 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -79.95 158.57 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.269 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -179.19 158.02 0.86 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.001 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.9 mm -71.45 131.47 86.46 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.969 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' HG2' ' HG2' ' A' ' 34' ' ' GLU . 42.0 Cg_endo -66.96 150.31 82.89 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.147 1.898 . . . . 0.0 112.087 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -38.49 -45.28 1.03 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -45.51 -70.32 0.11 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' HG2' ' HG2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -69.29 -23.77 63.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.327 . . . . 0.0 111.089 -179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.46 -34.01 76.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.0 -25.25 67.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.841 0.353 . . . . 0.0 110.675 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.41 -27.43 60.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mt -65.98 -52.23 51.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.761 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 10.4 mtp180 -64.51 -67.2 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.31 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -38.38 -31.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.532 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -67.91 -83.68 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 23.9 m-85 -75.05 -19.5 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.0 tppt? -67.43 -38.67 84.91 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -70.18 -34.63 59.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.032 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.0 m-85 -60.82 -18.06 53.37 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.007 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -78.31 90.1 4.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.609 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -55.3 -34.84 64.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.288 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.46 -19.99 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.364 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.01 12.32 22.04 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.052 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.533 HD21 HE22 ' A' ' 88' ' ' GLN . 17.9 p-10 -67.77 -4.72 13.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.689 0.281 . . . . 0.0 111.003 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.93 -19.83 52.66 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.216 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -113.64 129.71 56.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.68 0.276 . . . . 0.0 110.5 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.8 mt -92.87 134.38 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.383 . . . . 0.0 111.454 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.8 m -91.83 176.14 6.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.272 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.664 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.59 -50.23 65.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.323 . . . . 0.0 111.034 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.512 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.59 -38.33 74.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -43.83 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.043 0.449 . . . . 0.0 110.432 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -60.73 -26.23 67.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.866 179.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.51 -18.2 69.57 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.827 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.419 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 37.9 m -87.63 -24.57 23.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.21 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.3 -46.51 55.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.953 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.6 mmm -61.66 -49.42 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.506 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 11.5 ptp180 -57.5 -29.69 64.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.05 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 t -57.79 -37.33 73.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.678 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -76.51 -16.38 59.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.64 11.01 8.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.615 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 27.5 m-85 -122.98 94.42 4.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.664 0.269 . . . . 0.0 110.618 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.1 ptm -78.11 111.57 19.33 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.563 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -90.2 144.6 4.14 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.829 2.352 . . . . 0.0 112.171 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.613 HD22 ' H ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -86.56 179.28 6.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.76 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -59.23 -19.95 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.349 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.613 ' H ' HD22 ' A' ' 70' ' ' ASN . 39.0 t -90.33 -30.57 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.672 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.539 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 28.0 mm-40 -72.61 -52.81 13.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.695 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 75' ' ' GLU . 2.8 pp -54.16 -16.9 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HG2' HD12 ' A' ' 74' ' ' LEU . 31.8 mm-40 -82.71 -32.84 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -89.1 -22.8 6.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.1 mt -80.89 -24.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.84 0.352 . . . . 0.0 111.592 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.578 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.1 mm -79.56 -35.25 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.9 pt20 -62.56 -27.43 69.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.673 0.273 . . . . 0.0 111.526 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.438 ' HB2' HD22 ' A' ' 81' ' ' LEU . 2.9 mmp_? -60.0 -38.92 84.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.352 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 81' ' ' LEU . 2.3 mm? -91.18 -45.63 8.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.195 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -68.65 83.24 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.1 ptp -84.03 -44.28 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.005 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -68.45 -20.69 64.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.18 57.43 2.65 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.622 -0.799 . . . . 0.0 113.021 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -108.22 4.74 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 0.0 111.016 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.07 -28.11 2.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.381 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.533 HE22 HD21 ' A' ' 50' ' ' ASN . 52.5 mt-30 -130.78 150.06 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.298 . . . . 0.0 110.667 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.99 120.72 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.409 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -83.71 157.49 22.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.43 -59.78 2.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.749 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' HA ' HG12 ' A' ' 95' ' ' VAL . 45.6 mt-10 -50.07 -55.93 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.723 -179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -46.21 -37.59 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -91.04 -23.73 20.27 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 92' ' ' GLU . 1.3 p -75.7 -26.97 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 47.5 m -87.55 -47.67 8.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.721 0.295 . . . . 0.0 111.377 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.96 -20.62 58.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.86 0.362 . . . . 0.0 111.066 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt -100.86 -16.88 17.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -117.8 -161.58 12.08 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.492 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo . . . . . 0 C--O 1.249 1.026 0 C-N-CA 122.57 2.18 . . . . 0.0 112.325 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.607 0.242 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.31 112.28 3.29 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.528 2.152 . . . . 0.0 112.275 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -69.14 -26.23 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 14.5 p80 -91.49 148.29 37.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.002 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 25.5 Cg_exo -62.66 130.91 31.29 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.58 2.187 . . . . 0.0 112.15 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.66 -71.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.345 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.2 m -103.16 131.0 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.183 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.06 -176.24 5.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.39 -41.03 49.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.883 0.373 . . . . 0.0 111.046 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 179.6 0.71 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.6 mtp 57.17 58.56 3.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.937 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -68.64 -26.69 65.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -72.24 170.61 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.973 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 28.63 18.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.657 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.9 tp -139.41 142.95 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.766 0.317 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -71.77 100.57 2.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.6 p -89.18 98.55 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.375 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.502 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.6 m -81.05 119.72 76.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.345 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -39.9 -30.47 0.38 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.228 2.618 . . . . 0.0 113.107 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -94.03 47.38 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.121 0.486 . . . . 0.0 110.175 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -81.71 25.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.582 -179.477 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.71 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.0 pt? -110.45 -1.76 16.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.016 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.0 p -96.15 -17.32 20.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.78 -30.78 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 21' ' ' LEU . 35.2 tt0 -103.04 123.7 47.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -63.28 143.22 97.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 86.32 1.28 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.296 1.997 . . . . 0.0 112.181 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.64 167.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.488 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -172.95 156.17 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.0 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.3 mm -56.72 136.08 78.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.47 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -54.83 148.91 43.91 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.514 2.143 . . . . 0.0 112.619 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -44.76 -25.25 0.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -47.78 -46.61 30.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.742 0.306 . . . . 0.0 111.266 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.99 -20.54 48.84 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.635 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.665 HD12 HD12 ' A' ' 38' ' ' ILE . 15.6 tp -70.96 -29.94 66.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.684 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.96 -34.33 71.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -66.27 -35.27 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.665 HD12 HD12 ' A' ' 35' ' ' LEU . 22.8 mt -68.65 -44.7 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 12.8 mtp180 -69.09 -68.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.371 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -38.96 -31.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.95 -81.76 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 5.3 m-85 -74.05 -30.25 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tppt? -58.22 -39.38 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.6 m -71.96 -34.63 51.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 120.443 -0.503 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 40.8 m-85 -60.57 -17.88 49.08 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.617 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -76.54 97.4 4.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -54.71 -39.85 68.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.945 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.41 -19.4 53.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.77 15.51 27.21 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.942 -0.646 . . . . 0.0 112.802 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -74.59 4.0 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.639 0.257 . . . . 0.0 111.24 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.16 -16.4 58.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.1 m-85 -112.9 136.11 52.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.556 0.217 . . . . 0.0 110.435 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.3 mt -108.4 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.582 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.2 t -66.09 -178.17 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.487 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.663 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.6 mppt? -64.58 -55.61 19.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 111.216 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -51.55 -42.52 61.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.578 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.57 -45.74 67.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 111.053 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -62.13 -26.92 68.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.008 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.56 -21.7 67.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.02 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.7 m -88.54 -21.77 23.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.103 0.478 . . . . 0.0 110.263 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -46.91 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.084 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmt -63.63 -49.81 71.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.538 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.12 -32.06 63.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.9 t -55.85 -36.5 67.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.677 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.4 mt -81.12 -17.11 51.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.5 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.88 19.06 4.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.357 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 54.9 m-85 -126.39 90.88 3.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 110.532 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 14.2 ptm -85.99 109.93 26.6 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.378 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 73.3 Cg_endo -88.65 151.66 6.23 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.751 2.3 . . . . 0.0 112.265 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' O ' HD22 ' A' ' 74' ' ' LEU . 32.3 m-80 -85.94 171.69 11.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.687 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.1 pt-20 -60.04 -23.82 64.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.8 p -91.23 -19.57 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.9 mm-40 -87.59 -55.04 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.2 pt? -54.63 -15.71 1.98 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' HD23 ' A' ' 74' ' ' LEU . 45.4 mt-10 -82.74 -32.57 27.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.529 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.519 ' HA ' HE21 ' A' ' 79' ' ' GLN . 26.3 m -89.53 -26.99 5.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.546 HG23 HH21 ' A' ' 80' ' ' ARG . 6.0 mt -73.24 -38.39 54.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.548 HG13 ' HG3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -57.25 -43.59 82.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.471 -179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.519 HE21 ' HA ' ' A' ' 76' ' ' VAL . 46.2 mt-30 -52.11 -41.61 62.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.601 0.238 . . . . 0.0 111.416 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.546 HH21 HG23 ' A' ' 77' ' ' ILE . 62.9 mtm180 -45.99 -38.85 8.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.555 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.8 mp -91.59 -40.01 11.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.52 84.34 2.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.787 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 83.1 mtp -59.99 -48.19 82.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.375 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.48 -21.08 64.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.105 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.61 38.47 68.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.569 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -81.16 -16.38 53.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.001 0.401 . . . . 0.0 110.496 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.23 -21.74 23.94 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.715 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.6 mt-30 -128.77 133.47 48.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.9 t -78.48 126.93 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.732 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -87.24 154.13 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.02 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 95' ' ' VAL . 19.0 t80 -45.84 -57.97 3.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.968 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.653 ' O ' HG22 ' A' ' 95' ' ' VAL . 45.9 mt-10 -51.44 -51.76 52.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.784 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.8 -25.3 18.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.783 0.325 . . . . 0.0 111.254 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -90.37 -36.77 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 92' ' ' GLU . 15.9 m -62.7 -30.7 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.536 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 89.4 m -78.94 -47.02 17.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 0.0 111.479 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -22.93 67.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.932 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.4 tt -102.03 -19.71 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.734 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -87.63 -118.98 1.34 Allowed Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.457 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.48 2.12 . . . . 0.0 112.251 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.533 0.206 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -65.5 87.98 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.361 2.041 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -106.05 -39.38 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.628 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -100.64 121.25 53.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.627 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -60.35 127.99 24.73 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.318 2.012 . . . . 0.0 112.202 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.5 p -100.41 142.91 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -137.9 141.49 40.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.83 -171.08 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.88 -70.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.746 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.22 92.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.124 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 71.2 mtm -64.7 95.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -77.7 -55.34 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.802 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -164.85 132.88 3.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.34 79.52 0.37 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.209 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 tp -62.02 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 111.324 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -107.63 173.63 6.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 t -156.11 88.32 1.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 m -99.94 141.37 22.65 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.28 -45.6 7.12 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.527 2.151 . . . . 0.0 112.516 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -170.66 84.47 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.81 8.01 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.787 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.9 pt? -104.83 21.79 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.772 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.1 t -109.1 -48.36 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.02 -26.24 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.251 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.488 HE21 ' H ' ' A' ' 26' ' ' ARG . 25.9 tp60 64.42 131.99 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.114 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.488 ' H ' HE21 ' A' ' 25' ' ' GLN . 23.9 ptt180 -62.73 135.43 95.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.27 115.28 1.93 Allowed 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.634 2.223 . . . . 0.0 112.541 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.56 166.39 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -132.53 -18.87 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.66 114.09 55.03 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.49 150.55 84.11 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.105 1.87 . . . . 0.0 112.103 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -40.49 -41.67 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.926 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 9.5 m-20 -46.37 -47.06 18.76 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HG2' ' H ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -90.82 -26.78 19.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.634 0.254 . . . . 0.0 111.463 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD22 ' HD2' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -68.77 -34.64 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.735 -178.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 33' ' ' ASP . 12.5 pt-20 -56.7 -30.0 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.705 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -68.3 -29.82 68.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.218 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -70.7 -49.66 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.011 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 8.0 mtp180 -68.0 -70.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.416 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -39.06 -31.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -64.52 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 32.3 m-85 -77.12 -28.33 54.32 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -57.2 -40.46 77.47 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.358 -0.137 . . . . 0.0 111.29 -179.699 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.4 m -73.17 -35.84 48.53 Favored 'Isoleucine or valine' 0 C--O 1.23 0.073 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.305 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 25.2 m-85 -58.41 -18.59 29.3 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.56 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -71.2 90.73 0.91 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.099 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 47' ' ' ARG . 20.2 mtm180 -54.87 -40.56 69.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.619 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -77.78 -19.33 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.88 19.0 19.99 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.045 -0.597 . . . . 0.0 113.075 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -74.63 0.67 14.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.763 0.316 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.78 -11.03 66.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.05 143.72 49.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.733 0.302 . . . . 0.0 110.484 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 15.0 mt -109.69 109.07 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 111.566 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -69.45 -178.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.877 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.639 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -64.12 -50.51 67.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 111.517 -179.509 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -57.85 -35.88 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.483 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -72.19 -49.2 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.294 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -19.72 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.87 70.0 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.741 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.6 m -89.99 -21.96 22.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.128 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.58 -40.28 66.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.164 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.2 mmm -68.85 -47.52 65.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.669 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -56.96 -26.15 59.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.5 t -60.98 -43.32 99.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.757 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.12 -16.64 63.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.37 9.4 10.42 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 62.9 m-85 -121.53 96.85 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.619 0.247 . . . . 0.0 110.746 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -79.88 111.41 21.35 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.787 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -89.11 147.79 5.51 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -96.35 -175.24 3.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.868 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.98 -25.14 66.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.575 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -86.77 -19.58 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.699 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 mm-40 -85.05 -50.86 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.84 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.5 pp -55.74 -13.88 1.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.527 ' HG3' HD12 ' A' ' 74' ' ' LEU . 48.8 mt-10 -87.27 -30.58 20.79 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.8 m -90.11 -25.03 5.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.92 -22.91 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.719 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.639 HG13 ' HG3' ' A' ' 55' ' ' LYS . 28.2 mm -90.05 -17.98 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 12.0 pt20 -81.71 -14.03 57.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -82.02 -51.24 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.77 -41.2 68.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.097 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -69.43 82.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.16 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mtp -77.6 -45.32 25.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.444 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.1 p30 -68.17 -9.59 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.394 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.06 31.79 80.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.919 -0.657 . . . . 0.0 113.254 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -77.55 -12.93 60.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.636 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 -30.45 10.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.27 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -118.52 174.45 6.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.757 0.313 . . . . 0.0 110.875 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.4 123.55 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.429 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.45 149.36 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.983 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -56.09 -32.82 64.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.0 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.7 mt-10 -71.75 -51.49 22.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 111.359 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -58.68 -20.46 48.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.332 . . . . 0.0 111.061 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -89.11 -46.95 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.58 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.8 m -56.48 -32.18 35.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.7 m -77.92 -46.22 21.85 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.711 0.264 . . . . 0.0 111.711 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.2 mt -60.73 -18.21 53.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.676 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -109.39 -13.9 14.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.715 0.293 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -107.69 158.56 14.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.52 2.146 . . . . 0.0 112.335 179.847 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mmt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.649 0.262 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.02 -2.65 11.4 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.44 2.093 . . . . 0.0 112.248 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -65.47 -23.15 66.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -80.78 113.21 38.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.95 110.79 3.15 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.355 2.037 . . . . 0.0 112.389 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 m -103.9 3.17 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -97.57 -60.08 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.15 109.94 18.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.054 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.32 -70.21 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.3 mm? 50.92 36.32 14.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -77.03 -171.29 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.031 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -58.87 -52.92 63.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -82.18 68.62 8.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.76 -26.06 0.88 Allowed Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.45 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' H ' ' A' ' 17' ' ' THR . 7.5 tp -67.97 137.63 24.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.936 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -70.42 -37.58 74.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.807 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.472 ' H ' HG13 ' A' ' 15' ' ' ILE . 9.7 t 35.76 46.79 0.34 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.006 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.5 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 58.8 t -92.96 135.6 25.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 3.2 Cg_exo -81.44 -58.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.154 2.57 . . . . 0.0 112.913 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -49.98 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.72 21.23 8.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.481 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.9 pt? -107.99 -23.96 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.684 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 m -106.69 -59.72 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.62 -38.63 25.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.543 ' HG2' ' HG3' ' A' ' 26' ' ' ARG . 8.6 tt0 57.25 -109.5 0.49 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HG3' ' HG2' ' A' ' 25' ' ' GLN . 99.2 mtt180 -100.29 149.49 36.1 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.13 38.85 0.72 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.578 2.185 . . . . 0.0 112.043 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 t -54.8 108.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.501 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.457 ' C ' HD12 ' A' ' 30' ' ' ILE . 15.6 t70 -175.35 84.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.611 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.2 mp -107.85 134.59 20.02 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.063 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 30' ' ' ILE . 58.0 Cg_endo -80.98 148.52 17.25 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.594 2.196 . . . . 0.0 112.316 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -43.62 -40.73 4.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.611 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -48.22 -47.3 35.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.893 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -76.96 -24.8 52.33 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.32 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.579 HD12 HD12 ' A' ' 38' ' ' ILE . 5.3 tp -71.6 -36.76 70.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.314 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.73 -27.73 66.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.774 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -76.13 -26.94 56.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.579 HD12 HD12 ' A' ' 35' ' ' LEU . 23.3 mt -70.33 -48.23 61.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 13.0 mtp180 -68.27 -70.83 0.24 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.398 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -38.83 -31.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.91 -77.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.496 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 14.1 m-85 -77.88 -20.58 52.7 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 5.4 tppt? -67.03 -37.77 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.067 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.9 m -73.32 -35.35 46.2 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.028 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.5 m-85 -60.49 -18.07 49.25 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.39 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -73.03 90.75 1.53 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.951 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -54.08 -40.09 66.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.812 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.2 -20.11 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 111.144 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.08 20.05 40.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.005 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -76.88 -0.22 23.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.745 0.307 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.63 -18.8 56.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -113.77 139.59 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.476 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 13.8 mt -103.16 121.7 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.074 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.9 m -83.64 -177.86 6.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.69 ' HG3' HG13 ' A' ' 78' ' ' ILE . 3.9 mppt? -64.76 -51.62 61.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.74 0.305 . . . . 0.0 111.485 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -59.19 -28.28 66.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.406 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -83.4 -50.1 8.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.094 0.473 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.05 -27.09 66.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.217 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.54 -19.98 71.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.143 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -87.61 -21.36 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.197 0.522 . . . . 0.0 110.162 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.36 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.306 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.4 mmm -61.59 -44.79 96.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.491 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -60.28 -24.4 64.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -75.68 12.52 1.02 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.814 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.6 mt -120.7 -20.44 7.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.9 15.78 6.09 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -131.17 89.97 2.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.721 0.296 . . . . 0.0 110.762 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -64.22 111.17 4.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -87.1 135.23 3.79 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.596 2.198 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.605 HD22 ' H ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -93.23 -177.84 4.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -58.42 -22.66 54.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.507 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.605 ' H ' HD22 ' A' ' 70' ' ' ASN . 21.6 t -90.0 -23.69 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.573 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.2 mm-40 -77.41 -55.57 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.883 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -56.93 -14.1 3.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 74' ' ' LEU . 53.5 mm-40 -88.6 -29.53 19.92 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 73' ' ' GLU . 24.1 m -90.35 -26.05 5.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.16 -30.18 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.636 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.69 HG13 ' HG3' ' A' ' 55' ' ' LYS . 22.0 mm -77.58 -21.38 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.903 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -83.11 -16.65 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.843 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 80' ' ' ARG . 3.6 mmp_? -80.1 -26.31 39.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.739 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 89' ' ' VAL . 6.5 mt -98.89 -42.23 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.71 88.25 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.0 mmt -83.08 -45.44 14.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.107 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.52 -19.4 64.51 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.14 53.59 4.12 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.095 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -109.2 6.14 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.808 0.337 . . . . 0.0 110.787 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.02 -18.67 7.46 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.823 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -123.32 163.71 20.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 111.066 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 81' ' ' LEU . 41.4 t -94.03 134.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.527 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -92.63 149.33 21.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -60.65 -25.11 66.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.86 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.4 mt-10 -75.42 -50.43 15.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.21 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -57.42 -23.52 49.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.916 0.388 . . . . 0.0 111.056 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -88.25 -46.44 9.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.071 -178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 92' ' ' GLU . 6.9 m -55.73 -33.42 33.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.0 m -75.59 -46.49 31.51 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -19.94 20.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.708 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 pp -110.72 -14.9 13.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.54 103.15 2.2 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.337 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.448 2.099 . . . . 0.0 112.191 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.9 -17.01 46.6 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.537 2.158 . . . . 0.0 112.548 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -85.61 -11.52 53.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.05 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -88.61 127.5 56.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.635 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.11 126.39 11.74 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.312 2.008 . . . . 0.0 112.263 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.8 t -114.49 152.43 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.9 m 64.15 88.09 0.1 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.3 116.11 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.05 -20.61 32.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -93.41 90.76 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.01 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 39.2 ttp -119.75 39.31 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.234 0.54 . . . . 0.0 110.518 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -83.87 -13.75 52.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.664 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 60.97 90.24 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.016 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.3 153.33 24.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 tp -82.04 130.48 35.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -101.48 131.37 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.8 t -152.0 41.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.488 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 15.3 t -55.45 133.11 70.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.169 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 51.9 Cg_endo -90.95 -57.52 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.103 2.536 . . . . 0.0 112.438 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -70.03 77.32 0.49 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.819 0.342 . . . . 0.0 110.312 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.582 HD23 ' HA ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -109.47 33.08 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.399 -179.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.26 -16.59 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 44.9 t -97.87 22.94 8.55 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 114.107 -1.406 . . . . 0.0 109.588 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.582 ' HA ' HD23 ' A' ' 21' ' ' LEU . 35.5 tt0 -47.61 -12.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.482 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 24' ' ' GLU . 75.8 mt-30 71.26 -163.08 0.14 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.519 . . . . 0.0 111.434 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 80.2 mtt180 -49.41 149.93 3.63 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.266 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 2.0 Cg_endo -82.61 19.72 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.098 2.532 . . . . 0.0 112.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' A' ' 26' ' ' ARG . 15.8 m -82.62 124.81 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.481 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 52.28 84.05 0.05 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.218 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.8 mm -71.23 131.27 87.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.769 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 33' ' ' ASP . 13.9 Cg_endo -56.18 150.69 47.31 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.473 2.116 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -48.27 -11.0 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.054 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.8 t70 -51.99 -39.82 59.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -78.98 -20.68 48.51 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.1 0.476 . . . . 0.0 110.546 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.1 tt -74.72 -29.16 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.654 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -55.95 -32.26 63.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.48 -33.95 77.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.135 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 mt -63.26 -53.26 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 37.2 mtp180 -64.74 -67.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.522 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -38.62 -31.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.11 -79.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.8 m-85 -77.44 -31.04 53.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.7 tppt? -55.37 -40.26 71.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.355 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 41' ' ' ALA . 30.7 m -71.86 -36.43 58.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.214 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.479 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.4 m-85 -59.73 -18.27 41.41 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.488 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -71.22 90.79 0.92 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.113 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -58.23 -34.86 70.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -77.51 -19.14 56.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.93 17.95 24.19 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.014 -0.612 . . . . 0.0 113.063 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -81.47 0.81 36.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.31 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.48 -15.89 62.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 4.2 m-85 -112.62 141.78 45.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.694 0.283 . . . . 0.0 110.657 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 23.5 mt -113.59 111.41 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.9 t -69.5 179.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.633 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.3 mppt? -65.67 -47.88 74.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.322 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.91 -35.86 71.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.91 -48.68 34.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -19.91 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.25 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 -24.31 70.93 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.522 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 m -81.76 -32.77 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.1 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.016 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mmm -64.14 -49.82 70.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.49 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -63.22 -26.71 68.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.774 0.321 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -55.73 -37.41 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.4 mt -74.59 -16.25 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.822 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.55 19.18 7.13 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.346 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.5 96.43 4.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 110.964 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.9 tpt -65.06 110.66 4.49 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -85.95 129.8 3.49 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.476 2.118 . . . . 0.0 112.708 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.656 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 20.2 m120 -71.8 154.97 40.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.411 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HA ' HD21 ' A' ' 74' ' ' LEU . 10.8 pt-20 -60.21 -17.46 41.51 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 p -90.87 -30.47 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.015 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.656 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 12.0 mm-40 -74.07 -49.26 24.87 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.685 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.563 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -54.74 -14.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.659 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -80.11 -37.1 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.331 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.7 m -84.57 -22.23 7.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.76 0.314 . . . . 0.0 111.597 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -81.41 -30.21 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.651 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.58 HG13 ' HG3' ' A' ' 55' ' ' LYS . 19.7 mm -84.03 -20.93 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.971 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 5.2 pp0? -80.37 -12.9 59.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 90.7 mtt180 -76.23 -47.61 23.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.694 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.8 mp -80.34 -41.86 24.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.077 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -65.63 86.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.0 mmt -70.89 -54.76 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.01 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -68.45 -14.73 63.2 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.91 46.52 44.53 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -92.97 8.31 40.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.846 0.355 . . . . 0.0 111.052 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.64 -15.77 28.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 51.5 mt-30 -131.65 161.62 32.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.802 0.334 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.58 131.84 54.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.358 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.53 155.78 18.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.058 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -48.14 -60.86 2.31 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.865 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.571 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -44.43 -56.42 4.26 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -51.55 -32.44 28.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.817 0.341 . . . . 0.0 111.448 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -90.43 -19.79 23.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 92' ' ' GLU . 2.0 p -80.01 -28.73 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.686 0.279 . . . . 0.0 111.566 -179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 m -82.43 -44.05 16.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 110.968 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.6 -26.31 68.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.3 tt -97.74 -20.12 17.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.552 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.07 90.8 0.19 Allowed Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.49 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 C--O 1.25 1.092 0 C-N-CA 122.574 2.183 . . . . 0.0 112.407 179.752 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.448 0.166 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.63 134.25 43.31 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.497 2.131 . . . . 0.0 112.366 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -90.04 -16.01 30.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 86.3 m-70 -78.57 149.07 74.4 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.791 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 33.6 Cg_exo -60.1 130.03 32.69 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.67 2.247 . . . . 0.0 112.414 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.69 97.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.6 p -88.7 146.59 24.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 122.8 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.47 -5.46 24.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.405 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.8 mt 58.95 73.75 0.47 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.727 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -59.89 98.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.011 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -62.36 -60.0 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.786 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 63.13 161.44 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.376 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.29 32.82 3.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.3 tt -126.58 146.89 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -75.29 139.97 42.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 m -115.52 -25.36 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.46 140.36 88.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -78.8 -45.49 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.669 2.246 . . . . 0.0 113.063 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -152.84 59.45 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.818 0.342 . . . . 0.0 111.408 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mp -118.72 -5.8 10.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.3 pt? -61.4 -10.34 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.345 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.7 t -69.42 -33.91 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.33 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -123.03 -7.05 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.072 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -74.6 -80.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 0.0 110.892 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 40.9 ptt180 -65.84 138.84 96.61 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.631 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 36.2 Cg_exo -57.83 97.91 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.484 2.123 . . . . 0.0 112.467 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 m -69.89 170.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 t70 61.46 109.14 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.776 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -51.53 130.04 34.84 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 33' ' ' ASP . 10.9 Cg_endo -53.87 151.29 26.96 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.651 2.234 . . . . 0.0 112.071 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' HB3' ' A' ' 35' ' ' LEU . 36.7 tt0 -50.85 -7.41 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.812 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 31' ' ' PRO . 20.2 t70 -53.64 -34.36 58.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.666 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -84.61 -23.71 29.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.761 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 38' ' ' ILE . 3.8 tp -76.11 -29.21 57.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.838 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 44.1 tt0 -62.51 -36.33 82.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.366 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.45 -22.28 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.404 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.502 HD12 HD12 ' A' ' 35' ' ' LEU . 95.8 mt -61.49 -68.09 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.163 0.506 . . . . 0.0 111.264 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.728 ' HB2' ' HD2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -63.71 -46.39 85.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.749 -179.108 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.643 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 5.0 tm-20 -51.18 -20.7 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 111.154 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -80.04 -65.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 6.0 m-85 -73.18 -19.13 61.17 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.728 ' HD2' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -77.04 -35.63 56.68 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.598 -179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 41' ' ' ALA . 17.1 m -68.04 -30.71 49.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.668 179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.488 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 45.2 m-85 -65.57 -19.7 66.02 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.893 0.378 . . . . 0.0 110.188 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -70.74 92.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.258 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -56.92 -37.87 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.45 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -78.35 -19.64 53.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.36 23.18 40.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.677 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.626 HD22 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -76.19 -3.73 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.089 -179.791 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 97.65 -8.61 63.99 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.633 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' H ' HD22 ' A' ' 50' ' ' ASN . 4.4 m-85 -122.09 149.22 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.731 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 18.0 mt -113.05 128.34 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.8 t -93.75 -178.09 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.594 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.674 ' HB3' HD13 ' A' ' 74' ' ' LEU . 4.0 mppt? -63.58 -48.22 78.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.806 0.336 . . . . 0.0 111.313 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -61.83 -31.04 71.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.703 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.54 -49.34 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.772 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.3 -22.01 64.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.493 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.32 -20.69 71.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.018 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.558 HG23 ' HE ' ' A' ' 63' ' ' ARG . 27.2 m -86.55 -29.39 22.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.335 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.41 -50.29 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.1 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.454 ' HB2' ' HG3' ' A' ' 69' ' ' PRO . 23.9 mmt -57.51 -48.88 78.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.849 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.558 ' HE ' HG23 ' A' ' 60' ' ' THR . 23.6 ptt180 -59.96 -23.69 63.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.805 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.9 t -79.89 13.08 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.19 -20.25 7.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.469 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.7 15.08 6.47 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.932 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.431 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 28.3 m-85 -131.07 114.85 15.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.677 0.275 . . . . 0.0 110.416 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.9 ptp -85.09 110.13 26.22 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.193 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' HG3' ' HB2' ' A' ' 62' ' ' MET . 71.8 Cg_endo -90.08 133.94 2.07 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.61 2.207 . . . . 0.0 112.519 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -83.85 175.16 9.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.57 -16.59 64.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.972 0.415 . . . . 0.0 110.492 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -24.63 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.13 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -80.13 -50.31 10.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.756 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.674 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.8 pp -55.34 -14.04 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.792 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -82.99 -35.76 25.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.485 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.63 -35.73 7.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.19 -29.19 38.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.228 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.644 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -67.72 -37.74 79.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.449 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -59.62 -39.82 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.651 0.262 . . . . 0.0 111.282 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -50.88 -57.41 8.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.242 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -73.0 -48.5 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -75.34 77.82 2.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.9 mtm -65.82 -32.94 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -68.29 -20.7 64.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.18 28.47 73.71 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.8 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -86.54 -2.56 58.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 96.15 -12.15 67.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.764 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 94.6 mt-30 -133.13 151.32 52.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.948 0.404 . . . . 0.0 111.077 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -101.02 129.57 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.334 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.283 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 39' ' ' ARG . 14.7 t80 -46.26 -58.0 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.382 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 95' ' ' VAL . 43.0 mt-10 -48.8 -51.49 28.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -54.24 -27.34 34.16 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -83.27 -48.35 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -58.51 -27.42 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.9 m -74.07 -53.78 9.24 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 pp -63.46 -18.8 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.737 0.303 . . . . 0.0 111.288 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tt -103.37 -20.63 14.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -133.2 83.54 0.29 Allowed Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.634 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.557 2.171 . . . . 0.0 112.259 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.499 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 65.8 mtt . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 74.1 Cg_endo -75.15 143.02 28.1 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.915 1.744 . . . . 0.0 112.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -71.67 -12.15 61.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -109.79 115.74 55.02 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.24 133.19 22.37 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.268 1.978 . . . . 0.0 112.254 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG23 HG22 ' A' ' 7' ' ' THR . 15.9 m -113.19 -43.05 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.215 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.411 HG22 HG23 ' A' ' 6' ' ' VAL . 4.0 t -175.25 146.48 0.83 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.39 130.66 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.031 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -86.25 -20.16 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 9' ' ' ALA . 35.5 tp 75.8 -48.14 0.59 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.235 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.6 mmm 60.08 179.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.944 0.402 . . . . 0.0 111.432 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.88 -22.78 60.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 61.16 -83.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.91 -46.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.256 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 tp -101.35 143.98 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.785 0.326 . . . . 0.0 110.796 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -78.95 -86.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.1 p 44.0 72.78 0.17 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.441 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' HB ' ' HB2' ' A' ' 21' ' ' LEU . 28.2 m -89.59 144.67 32.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 20' ' ' ASN . 70.7 Cg_endo -75.94 -58.94 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.454 2.102 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.406 ' H ' ' HG2' ' A' ' 19' ' ' PRO . 44.1 m-80 -150.68 46.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB2' ' HB ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -73.27 -18.8 61.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.4 pt? -82.56 -2.51 53.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.3 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.3 m -110.08 -19.72 12.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.39 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -120.55 34.72 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.319 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' A' ' 22' ' ' LEU . 10.2 pt20 -91.4 4.09 53.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.748 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 66.8 mtp180 -77.74 152.61 80.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 11.4 Cg_exo -71.22 8.79 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.792 2.328 . . . . 0.0 112.655 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.5 m -93.25 165.82 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 63.82 88.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.517 HG23 ' HD2' ' A' ' 31' ' ' PRO . 87.3 mt -87.66 137.51 32.0 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.183 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' A' ' 30' ' ' ILE . 84.5 Cg_endo -78.36 148.92 24.17 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.461 2.107 . . . . 0.0 111.974 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -51.24 -15.74 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -58.47 -48.95 79.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.711 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.82 -22.87 58.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.178 0.513 . . . . 0.0 110.135 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD12 HD12 ' A' ' 38' ' ' ILE . 8.4 tp -68.42 -29.59 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.508 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.58 -37.1 84.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.974 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -29.61 69.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.789 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 35' ' ' LEU . 69.6 mt -64.53 -55.32 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.035 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -59.93 -68.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -40.41 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.469 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.08 -81.33 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 112.117 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.545 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -74.95 -22.76 58.38 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -65.46 -40.65 93.45 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.483 -179.459 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 41' ' ' ALA . 33.6 m -69.9 -34.22 59.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.441 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.2 m-85 -58.85 -18.22 30.78 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.368 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -78.32 95.31 5.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.684 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -55.46 -37.07 67.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.175 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.553 ' HB2' ' OD1' ' A' ' 50' ' ' ASN . 0.7 OUTLIER -84.66 -20.58 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.619 0.247 . . . . 0.0 111.611 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.71 54.28 34.04 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.32 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.553 ' OD1' ' HB2' ' A' ' 48' ' ' ASP . 0.3 OUTLIER -101.18 -3.24 29.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.79 0.329 . . . . 0.0 110.657 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.61 -10.16 64.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.89 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -126.51 129.94 49.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.717 0.294 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 11.4 mt -99.13 129.46 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.0 0.428 . . . . 0.0 111.535 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 m -86.18 179.89 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.655 ' HG3' HG13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -67.73 -48.9 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.716 0.293 . . . . 0.0 110.947 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.89 -42.39 79.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.58 -44.77 85.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.603 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' HB2' HD11 ' A' ' 78' ' ' ILE . 0.2 OUTLIER -60.84 -21.61 63.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.93 -25.32 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.005 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -87.51 -21.9 25.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.072 0.463 . . . . 0.0 110.35 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.42 -44.84 50.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.351 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.3 mmm -63.34 -49.43 73.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.887 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -53.68 -26.47 22.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.675 0.274 . . . . 0.0 111.267 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -62.11 -41.9 98.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.845 0.355 . . . . 0.0 110.652 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -69.32 -18.9 63.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.79 -0.85 17.74 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.452 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.449 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 60.7 m-85 -108.91 113.3 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.683 0.278 . . . . 0.0 110.536 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.1 ptt? -90.27 108.0 23.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.322 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 65.6 Cg_endo -89.9 152.63 4.94 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.759 2.306 . . . . 0.0 112.314 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.642 HD22 ' H ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -99.97 -179.04 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.758 179.643 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.94 -22.33 59.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.642 ' H ' HD22 ' A' ' 70' ' ' ASN . 21.0 t -90.07 -23.79 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.616 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.519 ' HG2' ' ND2' ' A' ' 70' ' ' ASN . 16.6 mm-40 -80.97 -50.49 9.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.66 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.1 pp -54.67 -13.79 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' HG3' HD12 ' A' ' 74' ' ' LEU . 46.6 mt-10 -85.92 -33.16 21.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.683 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.14 -23.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 112.384 0.512 . . . . 0.0 112.384 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.6 mt -78.47 -31.99 16.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 111.313 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.655 HG13 ' HG3' ' A' ' 55' ' ' LYS . 10.0 mm -67.42 -51.35 53.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.759 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -58.84 -8.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -70.61 -34.51 72.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.688 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD13 ' A' ' 97' ' ' LEU . 2.8 mt -107.64 -30.72 8.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.751 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.463 ' HB2' HG22 ' A' ' 89' ' ' VAL . 28.6 t0 -72.06 84.22 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.375 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.74 -34.92 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.068 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.86 -26.15 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.108 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.82 29.48 67.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.823 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -92.45 16.03 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.08 -5.25 27.18 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.932 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -132.5 139.42 47.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 82' ' ' ASP . 52.8 t -97.76 126.31 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -89.27 153.95 20.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.944 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.67 -45.78 63.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.485 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.614 ' O ' HG12 ' A' ' 95' ' ' VAL . 46.6 mt-10 -52.6 -59.71 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.788 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -50.42 -34.85 26.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.86 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -86.46 -20.37 28.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.904 -178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -74.77 -29.63 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 0.0 111.427 -179.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.8 m -80.98 -42.18 21.63 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.437 HD13 HD22 ' A' ' 81' ' ' LEU . 86.0 mt -54.67 -33.96 61.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.372 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD11 HD13 ' A' ' 38' ' ' ILE . 4.5 pp -103.39 -16.54 15.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.68 75.61 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.499 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.652 2.235 . . . . 0.0 112.308 179.864 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.5 mtp . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.574 0.225 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.16 118.88 5.91 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.513 2.142 . . . . 0.0 112.056 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -89.67 -25.14 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -89.22 109.85 34.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.924 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.27 135.76 44.52 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.466 2.111 . . . . 0.0 112.534 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.3 t 59.49 -85.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.48 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -73.47 167.27 21.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.47 111.49 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.11 -39.28 25.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.983 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.8 mt 57.68 16.87 3.7 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.364 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.2 mtm -140.44 -173.91 3.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -79.74 -35.85 38.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -166.31 96.23 0.58 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -172.77 116.01 0.59 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.643 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 tp -169.32 139.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -92.58 147.95 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.574 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.0 m -111.48 -50.18 2.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.4 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.14 145.87 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.271 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.4 -60.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.356 2.037 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -152.73 59.34 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.92 32.25 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.07 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 23' ' ' SER . 3.0 pp -103.51 -17.56 15.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' N ' HD12 ' A' ' 22' ' ' LEU . 47.9 t -110.18 -32.27 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -79.78 -8.32 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.93 125.94 32.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -69.68 126.87 92.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.59 91.99 0.96 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.503 2.135 . . . . 0.0 112.417 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.0 m -130.79 168.83 22.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -138.8 36.21 2.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.427 HG21 ' HG2' ' A' ' 34' ' ' GLU . 48.6 mm -104.98 133.04 20.34 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.28 144.3 45.77 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.28 1.986 . . . . 0.0 112.123 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -47.55 -19.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.25 -42.59 81.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.693 0.283 . . . . 0.0 111.173 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.427 ' HG2' HG21 ' A' ' 30' ' ' ILE . 2.1 tp10 -78.78 -23.22 45.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.02 0.438 . . . . 0.0 110.554 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 38' ' ' ILE . 13.2 tp -71.46 -29.62 65.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.394 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -56.82 -37.7 71.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.222 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.47 -40.84 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.982 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 35' ' ' LEU . 81.4 mt -58.19 -53.46 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.03 -68.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.6 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -68.99 -80.94 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.507 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 25.0 m-85 -77.31 -20.91 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -177.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 4.5 tppt? -66.04 -40.53 91.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.2 m -69.4 -34.64 63.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.764 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.507 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 28.6 m-85 -61.92 -18.21 59.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.303 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -78.24 100.55 6.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.126 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -67.12 -37.41 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.008 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -77.52 -19.19 56.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.424 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.91 24.97 29.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.982 -0.628 . . . . 0.0 113.019 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -79.95 -4.63 53.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.56 -19.28 45.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' HB3' ' HB2' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -116.81 137.92 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.68 0.276 . . . . 0.0 110.385 179.764 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 10.8 mt -100.12 113.55 35.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.816 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.747 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 66.0 m -64.64 171.56 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.198 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.672 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.13 -47.55 84.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.351 -179.581 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -63.02 -28.58 70.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.04 -50.96 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.85 -19.53 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.109 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.6 -19.76 71.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.559 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 39.5 m -89.93 -23.41 21.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.233 0.539 . . . . 0.0 109.716 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.32 -39.55 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.023 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 95.0 mmm -68.54 -44.39 74.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.622 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -56.34 -29.26 61.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.884 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 t -60.57 -37.9 82.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.259 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.68 -21.06 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.805 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.85 21.2 4.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.465 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 90.0 m-85 -121.25 109.98 15.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.464 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.6 ptt? -98.77 101.26 11.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.393 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 66.7 Cg_endo -88.11 143.28 5.7 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.774 2.316 . . . . 0.0 112.318 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 35.5 m-80 -83.7 -173.14 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.77 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.56 -33.37 74.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.46 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 p -90.14 -23.61 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.765 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.5 mm-40 -69.6 -51.1 38.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.734 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.9 pp -57.01 -13.83 3.1 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.481 ' HG3' HD12 ' A' ' 74' ' ' LEU . 44.2 mt-10 -83.34 -33.17 25.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.628 0.251 . . . . 0.0 111.471 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.9 m -88.58 -24.33 6.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.8 mt -81.01 -28.09 11.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.832 0.349 . . . . 0.0 111.423 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.626 HG13 ' HG3' ' A' ' 55' ' ' LYS . 14.0 mm -82.97 -23.61 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.822 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.62 -21.91 54.87 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.021 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -66.82 -48.75 67.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.95 0.405 . . . . 0.0 110.224 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.5 mp -76.87 -38.76 53.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.589 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.0 80.47 0.93 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.845 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 60.1 mtp -80.57 -37.76 30.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.248 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.23 -20.23 64.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.399 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.63 33.88 36.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.557 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -84.19 -2.53 57.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.57 -31.85 5.02 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.098 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.747 ' NE2' ' HA ' ' A' ' 54' ' ' SER . 3.2 mm100 -122.75 165.93 15.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.874 0.369 . . . . 0.0 110.793 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.0 t -89.1 117.4 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -86.55 152.22 22.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -46.12 -46.82 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.535 ' O ' HG12 ' A' ' 95' ' ' VAL . 43.2 mt-10 -52.99 -53.83 44.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.815 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -52.34 -38.39 58.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.945 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -86.78 -19.54 28.91 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -75.86 -24.99 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.496 -179.172 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 51.4 m -87.35 -38.33 16.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.25 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.0 mt -54.65 -39.89 68.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.322 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 pp -94.61 -16.22 23.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.37 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -71.59 174.79 41.7 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.67 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.642 2.228 . . . . 0.0 112.26 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.4 mtp . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.569 0.223 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -76.36 -89.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.378 2.052 . . . . 0.0 112.564 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.8 -35.07 6.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -89.08 150.17 44.64 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.232 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.07 154.39 19.36 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.684 2.256 . . . . 0.0 112.226 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p -63.72 -20.51 26.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.18 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -108.39 144.28 36.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.66 -164.5 1.01 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.246 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.29 -66.65 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.669 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.4 mm? 64.94 154.88 0.07 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.5 ttm -136.71 25.66 3.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.793 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -86.43 -5.08 59.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 55.77 76.11 0.29 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.057 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.06 -54.17 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.9 tp -114.02 144.43 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.954 0.407 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -82.5 137.62 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.3 p -77.9 -25.19 48.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.544 ' HB ' HD13 ' A' ' 21' ' ' LEU . 26.0 m -97.16 149.73 36.03 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.69 -60.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.196 1.93 . . . . 0.0 112.592 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -151.42 65.66 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.101 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD13 ' HB ' ' A' ' 18' ' ' VAL . 6.0 mp -122.2 20.66 10.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.681 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.7 pt? -109.68 -0.44 18.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.73 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.5 t -108.75 -59.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -116.63 -50.68 2.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.184 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 61.6 99.6 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.979 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.622 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 0.1 OUTLIER -64.58 149.87 94.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.901 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.61 102.63 1.52 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.458 2.106 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.4 m -124.39 173.47 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.541 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -162.39 141.29 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.127 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.3 mm -107.72 135.33 19.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.1 151.23 12.41 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.785 2.324 . . . . 0.0 112.368 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -49.45 -12.22 0.06 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.926 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -49.36 -36.45 21.64 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.702 0.287 . . . . 0.0 111.22 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -88.75 -21.38 23.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.9 -31.1 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.606 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -70.73 -26.81 63.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.13 -24.77 51.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.264 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 98' ' ' LEU . 51.5 mt -67.37 -51.24 54.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.864 0.364 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 7.9 mtp180 -60.06 -67.97 0.34 Allowed 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.54 -31.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.57 -80.63 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 31.0 m-85 -78.81 -22.48 46.18 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -63.38 -35.82 81.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.053 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 41' ' ' ALA . 25.9 m -76.86 -33.59 21.41 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.101 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.548 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 22.1 m-85 -57.49 -18.0 16.47 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.884 0.373 . . . . 0.0 110.31 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -69.92 93.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.917 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -54.95 -50.14 69.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.312 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -79.08 -20.34 49.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.918 0.39 . . . . 0.0 111.246 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.73 31.02 74.02 Favored Glycine 0 CA--C 1.519 0.297 0 CA-C-N 115.958 -0.565 . . . . 0.0 113.573 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -76.03 -0.88 23.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 117.11 0.455 . . . . 0.0 110.793 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 0.64 58.64 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.428 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -133.15 154.68 50.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.663 0.268 . . . . 0.0 110.326 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 25.6 mt -116.69 101.2 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.955 0.407 . . . . 0.0 111.192 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 32.9 t -66.45 -178.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.792 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.31 -47.63 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 111.214 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -59.31 -40.65 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -68.66 -49.02 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.424 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -19.57 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 0.0 110.239 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.79 -24.3 72.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.661 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 63' ' ' ARG . 40.0 m -87.74 -20.57 26.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.04 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.26 66.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.124 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 94.7 mmm -69.64 -48.2 60.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.549 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 60' ' ' THR . 6.2 ptp180 -54.27 -32.51 56.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.049 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.6 t -56.8 -41.63 78.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.738 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.6 mt -76.33 -18.7 58.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.53 24.94 3.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.452 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.53 99.72 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.719 0.295 . . . . 0.0 110.615 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.11 109.3 29.87 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -84.22 146.63 11.28 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.615 2.21 . . . . 0.0 112.302 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.459 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 37.1 m-80 -83.74 176.03 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -56.15 -34.01 65.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 111.214 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -24.62 6.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.646 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 19.5 mm-40 -72.77 -51.91 17.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.405 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD12 ' HG3' ' A' ' 75' ' ' GLU . 3.1 pp -54.7 -14.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.788 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 74' ' ' LEU . 45.9 mt-10 -86.97 -39.15 15.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.585 0.231 . . . . 0.0 111.286 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG23 HD12 ' A' ' 77' ' ' ILE . 34.4 m -83.93 -28.69 7.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.71 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.654 HD12 HG23 ' A' ' 76' ' ' VAL . 1.5 mp -70.02 -30.32 43.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.381 . . . . 0.0 110.667 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.649 HG13 ' HG3' ' A' ' 55' ' ' LYS . 6.4 mm -68.19 -54.6 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.868 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -56.99 -8.78 0.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 2.9 mmp_? -66.42 -39.06 88.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.951 0.405 . . . . 0.0 110.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD12 HG11 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -114.05 -24.36 9.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.842 179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' HG22 ' A' ' 89' ' ' VAL . 27.5 t70 -71.22 89.67 0.87 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 67.6 mmm -76.81 -31.87 57.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.448 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.95 -21.53 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 111.303 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.34 25.07 59.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.903 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -87.85 7.97 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.34 -12.56 58.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.718 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 41.8 mt-30 -132.24 142.33 49.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 81' ' ' LEU . 45.4 t -94.77 130.16 43.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -86.67 150.01 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -43.34 -60.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.977 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.553 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.0 mt-10 -42.58 -47.88 5.28 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -54.0 -42.5 69.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.742 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -80.05 -42.42 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 92' ' ' GLU . 1.3 p -54.46 -24.03 11.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.683 0.277 . . . . 0.0 111.542 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.0 m -84.48 -38.14 20.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.071 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.4 mt -49.77 -36.67 26.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.5 pt? -109.82 -6.94 15.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.888 0.375 . . . . 0.0 111.079 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.06 -177.07 50.4 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.301 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 122.405 2.07 . . . . 0.0 112.245 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.5 -27.15 19.28 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.45 2.1 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -72.57 -30.12 64.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -99.91 105.96 38.08 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.92 144.67 93.69 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.473 2.115 . . . . 0.0 112.418 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.46 137.97 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m -142.66 -35.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.83 -174.42 1.45 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.37 -69.48 0.34 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.218 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.93 171.82 17.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.272 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.5 mmt -140.26 28.31 2.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.792 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -74.32 -45.73 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 57.36 88.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.938 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.74 -59.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.5 tp -86.39 149.79 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.597 0.237 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -53.23 -86.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.8 m 43.38 77.92 0.06 Allowed 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.322 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 m -47.87 107.03 0.67 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.465 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -84.52 -53.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.57 2.18 . . . . 0.0 112.811 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -126.83 93.43 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.16 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.68 33.08 4.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.0 pt? -97.8 -26.88 14.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.7 p -103.44 -29.29 11.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -102.32 27.58 6.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -66.04 -20.89 66.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.136 0.493 . . . . 0.0 110.805 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -86.69 154.59 56.09 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.918 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -80.78 33.63 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.598 2.198 . . . . 0.0 112.477 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 t -119.21 134.25 63.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -179.21 136.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.049 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG23 ' HG3' ' A' ' 34' ' ' GLU . 1.6 mp -93.51 123.0 61.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.84 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.29 150.79 76.61 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.377 2.051 . . . . 0.0 112.114 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -35.37 -46.28 0.37 Allowed 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.496 0.498 . . . . 0.0 112.263 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -45.7 -68.77 0.17 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.656 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HG3' HG23 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -68.52 -19.26 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.68 0.276 . . . . 0.0 111.033 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 38' ' ' ILE . 13.5 tp -67.59 -35.45 79.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.661 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 47.7 mt-10 -56.96 -31.73 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.702 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.44 -36.19 77.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.344 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.632 HD12 HD12 ' A' ' 35' ' ' LEU . 80.4 mt -65.72 -52.8 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -59.49 -66.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.317 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.6 mm-40 -38.79 -29.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.537 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.76 -82.67 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 4.9 m-85 -72.32 -24.35 61.3 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -65.15 -39.88 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 41' ' ' ALA . 35.2 m -68.26 -34.62 67.23 Favored 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.816 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.543 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 54.2 m-85 -61.87 -17.96 58.39 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.203 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -78.12 99.49 6.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -60.68 -39.3 87.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.783 -179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.82 -19.24 55.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.687 0.28 . . . . 0.0 111.288 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.96 13.2 18.22 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.79 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.01 1.31 7.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.229 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.41 -14.18 65.81 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.222 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 6.3 m-85 -112.22 146.22 38.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.9 mt -115.76 104.62 17.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.255 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.8 p -60.79 175.98 0.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.703 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.687 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.9 mppt? -63.66 -51.27 65.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.647 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -57.31 -33.24 67.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 -179.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.62 -46.21 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.163 0.506 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -59.49 -28.26 66.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.036 179.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.82 -16.89 68.73 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.1 m -85.08 -26.09 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.07 0.462 . . . . 0.0 110.13 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.48 -43.35 63.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.937 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.48 -49.55 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.495 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -54.98 -30.56 59.52 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.732 0.301 . . . . 0.0 111.054 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.0 t -55.93 -37.77 69.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.58 -20.08 60.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.16 28.92 2.27 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.559 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -137.78 99.88 4.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.722 0.296 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 4.0 mpp? -76.72 110.25 11.15 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 1.0 OUTLIER -83.84 136.11 7.0 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.99 2.46 . . . . 0.0 112.28 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 78.0 m-20 -81.61 -174.62 5.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.922 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.14 -62.56 1.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.57 -19.43 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.95 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.529 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 mm-40 -73.47 -59.18 2.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.375 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.6 pp -55.97 -15.1 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.491 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' HD12 ' A' ' 74' ' ' LEU . 43.5 mt-10 -83.08 -38.95 21.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.657 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 73' ' ' GLU . 26.1 m -76.63 -24.94 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-O 120.779 0.323 . . . . 0.0 111.597 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt -81.32 -34.19 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.939 0.399 . . . . 0.0 111.29 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.601 HG13 ' HG3' ' A' ' 55' ' ' LYS . 9.2 mm -73.64 -27.77 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.075 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 10.7 pt20 -71.7 -12.88 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.93 -41.07 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 81' ' ' LEU . 6.9 mp -81.02 -49.79 10.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.816 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -67.7 88.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.112 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 92.8 mmm -70.46 -51.78 26.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.978 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -68.49 -22.98 64.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.698 0.285 . . . . 0.0 111.488 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.16 44.5 9.69 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.37 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.61 12.37 19.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.747 0.308 . . . . 0.0 111.042 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.52 -20.41 6.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.831 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 93.1 mt-30 -129.04 162.1 28.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.842 0.353 . . . . 0.0 111.13 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.29 124.93 51.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -87.17 153.1 21.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -53.04 -53.26 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.554 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 95' ' ' VAL . 45.5 mt-10 -50.0 -58.94 4.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.83 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -51.19 -30.61 17.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.81 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -89.34 -21.5 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.5 OUTLIER -70.52 -26.32 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.651 0.262 . . . . 0.0 111.501 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -90.08 -38.96 13.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.54 -28.49 45.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.406 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD11 HD13 ' A' ' 38' ' ' ILE . 4.3 pp -104.39 -10.37 17.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.781 0.324 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -92.59 129.01 9.66 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.404 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.305 2.004 . . . . 0.0 112.177 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.484 1.248 0 CA-C-O 120.646 0.26 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.18 106.3 2.01 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.541 2.161 . . . . 0.0 112.384 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -89.72 -25.63 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 60.8 m80 -91.2 131.94 35.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 4' ' ' HIS . 31.3 Cg_exo -61.73 136.84 64.75 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.487 2.125 . . . . 0.0 112.19 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.9 m -108.35 -169.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.2 m -91.4 -68.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.242 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.88 140.1 52.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 111.175 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.61 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.271 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -64.71 161.28 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.0 mmm 55.65 55.55 7.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.937 0.399 . . . . 0.0 110.45 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.07 -30.72 61.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.225 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -130.77 -22.53 2.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.17 -66.46 3.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.425 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tp -58.11 137.93 19.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -85.2 137.34 33.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.6 p -128.46 20.87 6.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.791 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.549 ' HB ' HD12 ' A' ' 21' ' ' LEU . 42.0 t -73.46 137.24 77.85 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.965 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 3.0 Cg_exo -76.86 -53.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.015 2.477 . . . . 0.0 112.231 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -75.1 77.3 2.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.805 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD12 ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.26 37.7 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.198 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -104.16 -21.98 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.9 m -101.43 -39.06 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.92 15.22 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -68.85 120.33 14.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.802 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -83.02 143.56 46.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.786 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.62 114.13 3.4 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.555 2.17 . . . . 0.0 112.166 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 m -134.75 128.99 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.336 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 55.34 27.35 9.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.224 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.1 mm -78.53 130.16 72.12 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.821 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.64 149.22 90.78 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.229 1.953 . . . . 0.0 111.957 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.97 -13.02 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -56.77 -26.58 57.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.21 -22.99 21.4 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 HD12 ' A' ' 38' ' ' ILE . 9.5 tp -66.77 -30.67 70.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 39' ' ' ARG . 46.2 mt-10 -63.01 -35.26 79.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.983 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.86 -23.8 67.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.764 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 HD12 ' A' ' 35' ' ' LEU . 77.9 mt -67.81 -52.06 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.525 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -61.53 -70.51 0.18 Allowed 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.297 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -38.98 -30.69 0.05 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.11 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.521 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 35.4 m-85 -77.32 -21.79 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -63.16 -39.94 96.11 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 41' ' ' ALA . 22.1 m -72.29 -33.59 46.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.249 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 26.8 m-85 -61.65 -18.23 58.67 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.096 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -73.57 92.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.669 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -50.83 -40.21 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.071 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.65 -20.28 54.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.681 0.276 . . . . 0.0 111.605 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.02 13.6 20.47 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.977 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.98 -2.51 12.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.711 0.291 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.87 -21.42 46.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.608 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -112.47 129.29 56.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.653 0.263 . . . . 0.0 110.517 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 21.9 mt -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.394 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.9 p -103.73 -178.21 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.106 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.634 ' HB3' HD13 ' A' ' 74' ' ' LEU . 25.1 mtmm -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -32.5 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.066 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -75.16 -47.42 28.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.21 -19.65 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.316 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.16 -20.33 76.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.771 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.4 m -84.98 -27.43 26.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.125 0.488 . . . . 0.0 110.065 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.21 -44.44 68.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.256 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.2 mmt -65.86 -48.93 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.742 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -55.87 -32.2 63.47 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 111.089 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.9 t -56.5 -38.1 71.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.4 mt -79.35 -19.96 48.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.845 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.54 18.98 5.13 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.482 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 81.1 m-85 -121.06 106.59 11.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.757 0.313 . . . . 0.0 110.768 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.6 mtp -90.8 107.68 22.31 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.142 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 95.1 Cg_endo -86.16 136.7 5.0 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.573 2.182 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 39.0 m-80 -78.97 177.18 8.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.75 -30.7 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.693 0.282 . . . . 0.0 111.244 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.01 -20.23 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.39 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.1 mm-40 -75.26 -47.99 25.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.601 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.0 pp -61.36 -13.94 23.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.545 -179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 74' ' ' LEU . 46.4 mt-10 -83.63 -27.65 28.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.795 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 73' ' ' GLU . 19.0 m -89.44 -19.5 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.7 mt -81.13 -46.36 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.46 HG13 ' HA ' ' A' ' 55' ' ' LYS . 19.4 mm -67.09 -17.68 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 76' ' ' VAL . 25.4 pt20 -84.72 -9.66 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.766 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 16.5 mmm180 -82.03 -31.12 31.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.7 mp -99.71 -40.09 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.432 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.94 82.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.016 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 84' ' ' ASP . 24.9 ptt? -61.53 -47.96 83.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.651 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 83' ' ' MET . 11.2 p-10 -71.2 -28.1 63.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 111.302 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.21 45.69 8.7 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.416 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -88.54 10.38 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 0.0 110.75 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.29 -13.5 33.08 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.415 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -133.89 154.75 50.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.6 t -97.71 128.53 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -88.03 149.94 23.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -48.72 -54.74 13.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.705 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' HG22 ' A' ' 95' ' ' VAL . 41.7 mt-10 -53.31 -53.09 56.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.863 0.363 . . . . 0.0 111.583 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.98 -22.79 11.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.739 0.304 . . . . 0.0 111.252 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.2 -41.96 11.31 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 92' ' ' GLU . 32.8 m -58.14 -32.15 43.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.6 m -82.31 -45.51 14.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.651 0.263 . . . . 0.0 111.684 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 81' ' ' LEU . 81.5 mt -59.24 -26.72 65.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.427 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.7 pp -98.66 -12.44 21.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.8 -125.07 4.92 Favored Glycine 0 CA--C 1.52 0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.577 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.249 1.075 0 C-N-CA 122.458 2.105 . . . . 0.0 112.277 -179.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.597 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 25.7 ttt . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 92.7 Cg_endo -83.65 40.97 0.97 Allowed 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 122.105 1.87 . . . . 0.0 112.816 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -108.61 -34.22 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.53 135.33 23.21 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.49 113.98 3.63 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.318 2.012 . . . . 0.0 112.388 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.6 t -116.6 90.22 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.6 p -99.34 -48.42 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.71 128.03 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.61 -20.22 60.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.225 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.8 mp -120.25 128.81 53.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.746 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -109.13 150.73 27.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -80.35 7.53 9.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 53.63 29.08 8.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.317 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.7 137.86 0.2 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.4 tp -125.61 126.86 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.039 0.447 . . . . 0.0 111.087 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 57.81 56.06 5.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.1 m 62.09 -83.49 0.02 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.579 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -65.68 139.89 97.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.25 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.88 -55.28 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.81 2.34 . . . . 0.0 112.347 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -157.99 55.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.78 14.78 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.062 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 23' ' ' SER . 3.9 pp -70.03 -25.82 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 22' ' ' LEU . 44.6 t -109.59 -3.78 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.11 -3.22 29.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -67.3 -14.3 62.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.44 . . . . 0.0 110.7 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -70.91 159.27 86.01 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.638 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.57 52.71 3.73 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.579 2.186 . . . . 0.0 112.452 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.576 HG12 ' H ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -103.78 174.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.576 ' H ' HG12 ' A' ' 28' ' ' VAL . 27.7 t70 71.81 155.95 0.16 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.131 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -53.04 132.59 50.0 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.441 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.59 150.84 63.78 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.574 2.182 . . . . 0.0 112.36 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 38.7 tt0 -36.49 -45.8 0.52 Allowed 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -45.7 -69.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.759 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -19.72 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD12 HD12 ' A' ' 38' ' ' ILE . 14.1 tp -65.66 -33.24 75.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.497 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -54.79 -37.27 65.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -55.02 -37.75 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -66.31 -56.37 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 6.3 mtp180 -59.77 -69.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.259 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.2 tt0 -38.46 -30.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.26 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.6 -84.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.4 m-85 -75.87 -27.68 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.417 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 41' ' ' ALA . 21.1 m -68.25 -33.78 62.53 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.546 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 24.8 m-85 -57.92 -18.14 21.22 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.459 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -68.91 92.27 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -55.4 -44.65 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.985 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.05 -15.57 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.436 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.72 24.74 54.23 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.809 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.18 -8.89 56.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.96 -12.64 65.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.462 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -122.04 130.22 53.09 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.838 0.352 . . . . 0.0 110.175 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 38.0 mt -93.26 105.78 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.837 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 71.6 m -65.23 177.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.443 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.6 mppt? -65.05 -47.26 77.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.65 -34.67 76.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.042 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -70.46 -48.42 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 110.783 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.9 -19.5 65.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.045 0.45 . . . . 0.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.75 -22.55 73.7 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.414 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 55.5 m -83.99 -27.71 28.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.088 0.47 . . . . 0.0 110.096 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.29 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.181 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.31 -47.84 63.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 10.8 ptm180 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.8 t -53.73 -34.24 58.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.3 mt -85.28 -18.75 32.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.42 20.9 4.55 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.732 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -122.0 104.45 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 88.8 mmm -80.24 111.14 19.83 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.996 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -87.16 129.77 2.86 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.551 2.167 . . . . 0.0 112.415 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -75.98 -177.86 4.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.21 -35.61 81.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.04 -25.56 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.412 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.3 mm-40 -64.84 -57.93 7.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.512 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.99 -14.31 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.564 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HG2' HD12 ' A' ' 74' ' ' LEU . 22.8 mm-40 -83.13 -31.92 26.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.515 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 73' ' ' GLU . 34.4 m -89.49 -23.71 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.0 111.628 -179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.7 mt -81.13 -30.63 11.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.279 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.572 HG13 ' HG3' ' A' ' 55' ' ' LYS . 26.5 mm -85.24 -22.79 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.755 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -74.5 -16.86 60.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.719 0.295 . . . . 0.0 110.913 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -75.1 -45.02 43.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 81' ' ' LEU . 5.3 mp -80.23 -43.15 21.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.787 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.25 80.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.039 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.8 mtp -71.45 -48.62 48.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.704 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 16.7 p-10 -68.05 -20.85 65.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.522 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.47 37.7 30.5 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.326 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.9 p-10 -80.66 -19.84 44.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.965 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.13 -24.94 11.92 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 47.0 mt-30 -126.56 167.78 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.0 111.006 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.84 122.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.386 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -86.8 149.76 24.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -50.17 -50.34 49.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.884 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.429 ' HA ' HG22 ' A' ' 95' ' ' VAL . 44.3 mt-10 -54.23 -50.59 66.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.662 0.268 . . . . 0.0 111.669 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.99 -25.63 63.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.872 0.368 . . . . 0.0 111.033 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 98' ' ' LEU . 38.5 t80 -81.64 -51.6 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.196 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' HA ' ' A' ' 92' ' ' GLU . 4.9 m -54.63 -36.79 37.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.481 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -61.05 -51.27 69.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.683 0.278 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 pp -77.4 -5.38 49.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.045 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -102.01 17.99 21.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 179.719 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.67 -171.71 21.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.248 1.016 0 C-N-CA 122.403 2.069 . . . . 0.0 112.353 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.9 mtp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.42 109.85 0.71 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.614 2.209 . . . . 0.0 112.294 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -103.88 -15.7 15.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -100.62 101.76 16.58 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.2 142.09 78.61 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.285 1.99 . . . . 0.0 112.217 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t 57.78 89.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.351 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.6 m -71.18 -57.49 4.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.78 110.95 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.07 -63.57 1.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.9 tp 58.34 -85.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.3 ptp -151.15 133.22 15.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.71 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -90.18 -33.47 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 52.0 77.37 0.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.24 -50.18 0.02 OUTLIER Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.792 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -92.12 151.93 3.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.71 0.29 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -109.48 57.73 0.61 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.176 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.4 p -64.66 119.82 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.029 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.6 m -95.56 153.67 39.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.226 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.17 -60.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.492 2.128 . . . . 0.0 112.826 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -149.85 -43.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.686 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 62.44 15.43 7.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.509 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 23' ' ' SER . 3.3 pp -78.81 -13.06 60.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.428 ' N ' HD12 ' A' ' 22' ' ' LEU . 44.9 t -106.66 -18.78 13.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -117.71 34.77 4.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.98 13.68 3.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.76 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -62.03 156.48 57.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -78.38 46.74 2.2 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.677 2.251 . . . . 0.0 112.766 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.6 t -98.74 149.17 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 56.73 70.75 0.62 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.9 mm -102.86 132.82 20.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.249 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 33' ' ' ASP . 9.4 Cg_endo -52.2 152.1 15.68 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.853 2.369 . . . . 0.0 111.575 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -3.92 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.988 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.5 t70 -52.92 -33.25 49.77 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.992 0.425 . . . . 0.0 110.043 178.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.15 -20.22 23.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.01 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' C ' HD13 ' A' ' 35' ' ' LEU . 2.9 tm? -63.46 -48.21 78.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.48 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 40' ' ' GLU . 43.9 mt-10 -70.46 -12.31 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.343 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -85.67 -22.52 27.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' HB ' ' HE1' ' A' ' 91' ' ' PHE . 7.1 mt -59.51 -57.29 12.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.307 0.575 . . . . 0.0 110.41 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HB3' ' HE3' ' A' ' 43' ' ' LYS . 9.9 ptm180 -62.21 -44.5 96.43 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.642 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 23.0 mm-40 -38.78 -36.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 111.025 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -73.39 -73.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.511 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 13.4 m-85 -70.16 -44.96 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -49.49 -47.62 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -61.51 -35.0 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 120.216 -0.594 . . . . 0.0 111.582 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.511 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 34.7 m-85 -56.4 -18.98 12.75 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.708 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -70.18 110.31 5.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.966 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -74.05 -32.99 63.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.901 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.21 -13.35 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 56.18 18.53 20.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.957 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -75.37 -1.46 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.89 -8.06 80.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.298 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' HB3' ' HB3' ' A' ' 88' ' ' GLN . 13.4 m-85 -116.03 151.81 34.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.722 0.296 . . . . 0.0 110.629 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 67.4 mt -117.06 134.72 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.099 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.1 m -99.1 -178.26 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.898 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.615 ' HB3' HD13 ' A' ' 74' ' ' LEU . 43.9 mtmt -65.51 -47.12 77.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.077 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -63.42 -28.49 70.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.8 -54.6 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.97 -20.44 65.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.334 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.97 -20.52 72.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.705 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -90.22 -24.53 20.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.045 0.45 . . . . 0.0 110.312 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.03 -42.18 63.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.151 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 mmt -66.97 -45.85 76.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.574 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -59.17 -29.1 67.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.841 0.353 . . . . 0.0 110.967 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.0 t -58.95 -38.13 78.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.797 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -70.02 -18.41 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.24 10.95 9.25 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.614 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.29 90.63 3.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.727 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.96 112.15 16.6 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -86.6 138.67 5.42 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.587 2.191 . . . . 0.0 112.201 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -72.96 170.47 14.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.39 -14.12 46.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.07 0.462 . . . . 0.0 110.05 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -90.64 -27.49 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.671 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 10.3 mm-40 -76.13 -54.15 7.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.909 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' A' ' 55' ' ' LYS . 1.1 pp -52.69 -19.11 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.516 ' N ' HD12 ' A' ' 74' ' ' LEU . 47.6 mt-10 -78.54 -35.68 45.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.356 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.7 m -87.23 -20.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.0 mt -81.58 -43.12 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.741 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.0 mm -66.43 -23.94 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.85 -10.88 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.355 . . . . 0.0 110.889 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 31.2 mmt180 -80.63 -29.58 36.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.31 -45.98 4.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -66.68 84.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 61.8 mtt -71.15 -32.7 69.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -68.69 -23.6 64.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.25 35.69 77.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.67 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -98.23 16.79 20.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.44 1.91 53.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 52' ' ' PHE . 20.0 mt-30 -141.45 150.08 41.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.2 t -105.0 131.08 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.32 157.25 18.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.613 ' O ' HG13 ' A' ' 95' ' ' VAL . 33.5 t80 -51.12 -54.06 28.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.608 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 95' ' ' VAL . 47.3 mt-10 -47.51 -59.46 3.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.777 0.322 . . . . 0.0 111.767 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -50.45 -25.34 3.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.756 0.312 . . . . 0.0 111.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -90.37 -25.49 20.41 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 91' ' ' PHE . 2.7 m -72.67 -33.82 45.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.719 -179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.4 m -79.56 -48.2 14.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.638 0.256 . . . . 0.0 111.51 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.86 -23.18 67.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.777 0.322 . . . . 0.0 111.176 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.8 tt -99.23 -16.55 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.648 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.62 68.13 0.5 Allowed Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.59 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.45 2.1 . . . . 0.0 112.24 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 66.5 mtt . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.528 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 95.7 Cg_endo -79.02 138.81 14.75 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.033 1.822 . . . . 0.0 112.325 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -103.47 -0.99 29.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -92.74 148.5 36.18 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.89 110.19 2.32 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.375 2.05 . . . . 0.0 112.395 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 p -136.6 -23.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 m 62.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.266 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.07 155.17 28.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.73 -9.94 59.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.9 mt 56.15 -169.61 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.189 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -161.29 176.57 11.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.811 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -67.84 -60.34 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -83.92 -166.9 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.86 -141.5 10.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.331 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 15' ' ' ILE . 9.8 tp -170.15 124.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.896 0.379 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' HB3' ' H ' ' A' ' 17' ' ' THR . 4.0 m-85 50.18 -157.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.378 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 ' H ' ' HB3' ' A' ' 16' ' ' TYR . 51.3 m 65.0 93.1 0.07 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.377 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 m -88.56 127.86 54.97 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -82.12 -53.64 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.573 2.182 . . . . 0.0 113.259 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -104.61 117.9 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 111.439 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -153.67 3.4 0.28 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -78.16 -29.29 48.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.4 p -67.9 -9.48 45.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -117.09 -33.36 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -156.48 130.5 8.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HB2' HG22 ' A' ' 28' ' ' VAL . 69.6 mtp180 -94.63 154.27 40.07 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.783 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.76 8.54 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.875 2.383 . . . . 0.0 112.847 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 26' ' ' ARG . 20.5 m -92.67 134.76 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 55.14 83.84 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 46.4 mm -96.42 130.07 31.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.37 148.56 43.48 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.323 2.016 . . . . 0.0 112.125 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -50.75 -17.64 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.674 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -61.43 -37.55 83.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.487 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -83.78 -23.32 31.54 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 120.805 0.336 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 38' ' ' ILE . 4.2 tp -69.91 -29.68 66.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.414 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.41 -28.93 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.21 -23.0 61.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 HD12 ' A' ' 35' ' ' LEU . 65.8 mt -65.57 -52.36 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.224 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.1 mpt_? -61.75 -68.48 0.32 Allowed 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.27 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -38.64 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -69.05 -78.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 3.3 m-85 -75.62 -19.67 59.05 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -67.21 -40.08 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.567 0.222 . . . . 0.0 111.225 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 41' ' ' ALA . 34.5 m -71.61 -36.72 60.8 Favored 'Isoleucine or valine' 0 C--O 1.231 0.088 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.516 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.481 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 29.0 m-85 -58.91 -18.17 30.92 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.584 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -74.43 100.37 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.12 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -67.03 -37.98 85.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.834 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.85 -16.31 58.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 0.0 111.349 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.52 20.52 24.0 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.146 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -78.25 -2.89 40.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 111.064 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 98.36 -20.67 49.54 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.774 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.83 131.48 55.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.647 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 6.7 mt -95.71 112.78 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.441 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.462 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 58.3 m -72.88 -179.15 3.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.8 mppt? -65.18 -50.58 65.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.75 -34.31 69.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.185 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.11 -47.48 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.115 0.483 . . . . 0.0 110.586 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -59.93 -27.41 66.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.121 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.0 -19.96 61.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.797 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 86.5 m -84.32 -31.67 24.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.066 0.46 . . . . 0.0 110.191 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.39 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.138 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.4 mmm -60.28 -52.58 64.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -58.83 -29.13 66.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.292 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.1 t -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.769 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.47 -18.06 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.74 14.41 7.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.396 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.88 90.68 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.657 0.265 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -71.89 111.99 12.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -87.7 135.33 3.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.619 2.213 . . . . 0.0 112.371 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 36.9 m-80 -75.48 175.69 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.59 -29.35 69.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.4 p -88.34 -23.97 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 13.8 mm-40 -70.79 -53.88 13.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.381 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -56.8 -14.24 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.513 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.469 ' HG2' HD12 ' A' ' 74' ' ' LEU . 43.2 mm-40 -85.45 -33.85 21.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.144 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.4 m -86.95 -26.93 5.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.577 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 73' ' ' GLU . 6.7 mt -80.91 -25.26 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 111.062 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.571 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.0 mm -84.64 -24.93 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.664 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -77.76 -17.31 57.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.816 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -74.64 -43.54 54.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HG21 ' A' ' 89' ' ' VAL . 5.8 mt -81.91 -39.52 23.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.625 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.46 83.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.753 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 51.3 mtt -77.79 -46.36 21.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.664 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 12.3 p-10 -68.65 -20.93 64.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.01 42.19 16.63 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.427 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 6.7 p-10 -90.59 -8.97 48.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.87 0.335 . . . . 0.0 111.176 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.14 -27.79 18.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.462 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 48.4 mt-30 -122.48 161.31 23.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.425 HG21 HD12 ' A' ' 81' ' ' LEU . 60.7 t -95.32 128.31 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.426 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.48 151.35 19.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -49.38 -54.65 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.575 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 95' ' ' VAL . 42.4 mt-10 -47.58 -59.9 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.68 -33.05 9.33 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -88.53 -24.16 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -70.43 -28.93 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.515 0.198 . . . . 0.0 111.502 -179.082 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.1 m -84.89 -41.05 16.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.318 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.2 mt -52.83 -30.2 32.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.484 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.63 -10.72 16.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.789 0.328 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 100' ' ' PRO . . . -92.09 -111.1 1.82 Allowed Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.563 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.41 ' HD3' ' HA3' ' A' ' 99' ' ' GLY . 35.5 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.433 2.089 . . . . 0.0 112.248 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.332 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -79.61 124.73 5.87 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.575 2.184 . . . . 0.0 112.499 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -67.35 -20.96 65.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -97.05 143.13 25.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.81 115.25 3.79 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.541 2.161 . . . . 0.0 112.441 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.52 -2.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.284 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 m -136.18 135.62 39.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.211 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.9 125.68 31.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.123 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.79 -6.31 53.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 10' ' ' LEU . 3.8 mm? -64.34 -63.28 1.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.701 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.422 ' HG3' ' H ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -86.68 129.87 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.782 179.726 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -90.72 -12.63 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.219 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -144.99 158.2 43.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.41 -75.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.209 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.53 ' H ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -127.7 153.75 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 CA-C-O 120.626 0.251 . . . . 0.0 110.734 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -153.44 131.88 12.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.3 m -91.36 82.48 5.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -69.26 149.03 97.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.145 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.78 -55.27 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.436 2.091 . . . . 0.0 112.393 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -175.13 65.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -91.37 12.33 20.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -96.43 -36.16 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.672 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.2 m -110.32 15.01 22.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.3 1.41 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -78.5 -98.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -71.87 138.63 82.56 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.785 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.5 5.8 3.53 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.09 99.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.424 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.0 t70 179.46 95.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG21 ' HG2' ' A' ' 34' ' ' GLU . 34.7 mm -86.2 131.07 47.52 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -60.76 148.59 91.42 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.433 2.089 . . . . 0.0 112.354 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -51.28 -17.29 0.68 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.806 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 17.2 t70 -55.88 -31.47 62.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 111.138 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' HG2' HG21 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -90.74 -20.25 22.62 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.762 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.95 -38.35 79.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 33' ' ' ASP . 11.3 pt-20 -57.57 -27.98 63.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.84 0.352 . . . . 0.0 110.754 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -63.85 -33.52 75.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.4 mt -62.1 -48.93 86.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.559 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 39.8 mtp180 -63.25 -61.9 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.968 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' O ' HG22 ' A' ' 44' ' ' VAL . 41.9 mt-10 -39.21 -29.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -70.93 -81.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 11.0 m-85 -74.58 -27.18 60.38 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.8 tppt? -64.18 -39.79 94.73 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.9 m -68.74 -33.34 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 35.4 m-85 -58.96 -18.15 31.21 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.17 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -77.78 94.15 4.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.899 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -55.83 -35.97 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.59 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -78.06 -20.11 52.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.7 19.24 19.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.768 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -72.79 -2.04 18.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 111.175 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.41 -6.17 65.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.661 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -126.1 144.17 50.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.75 0.31 . . . . 0.0 110.505 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.7 mt -108.0 124.02 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.247 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.8 t -85.55 179.23 7.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.618 ' HG3' HG13 ' A' ' 78' ' ' ILE . 4.0 mppt? -63.94 -50.42 68.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.329 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -58.25 -37.22 74.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -74.14 -45.98 45.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 110.917 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 58' ' ' LEU . 2.6 tm? -59.84 -26.19 65.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.02 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.57 -18.65 63.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.737 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 36.3 m -90.31 -22.23 21.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.24 -46.27 34.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.962 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.8 mmm -64.48 -42.17 96.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.625 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 60' ' ' THR . 4.4 ptm180 -59.33 -23.27 62.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.87 0.367 . . . . 0.0 110.6 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.4 t -75.45 10.34 1.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.691 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.8 mt -120.23 -20.66 7.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.97 18.77 5.01 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.073 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -133.1 115.75 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.572 0.225 . . . . 0.0 110.554 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -100.34 100.58 12.29 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.367 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.5 150.44 24.92 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.426 2.084 . . . . 0.0 112.209 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.466 ' H ' ' HB2' ' A' ' 73' ' ' GLU . 24.3 p30 -98.8 -169.83 1.84 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.286 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.89 -44.36 74.03 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.32 -19.18 9.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 76' ' ' VAL . 12.9 mm-40 -72.98 -56.58 4.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.3 pp -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' N ' HD12 ' A' ' 74' ' ' LEU . 43.9 mt-10 -81.72 -36.84 28.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.563 0.22 . . . . 0.0 111.58 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 73' ' ' GLU . 31.1 m -83.32 -25.07 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.703 0.287 . . . . 0.0 111.748 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.4 mt -80.92 -28.11 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.429 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.618 HG13 ' HG3' ' A' ' 55' ' ' LYS . 7.9 mm -83.98 -25.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.929 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 76' ' ' VAL . 10.2 pt20 -76.12 -9.44 58.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -76.03 -49.99 16.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.831 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -81.72 -40.97 21.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -66.65 81.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.066 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 17.5 ptp -77.23 -41.81 39.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.718 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.59 -22.61 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 111.002 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 75.39 37.86 40.28 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.607 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -87.18 -20.51 26.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.982 0.391 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.2 -21.21 20.33 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.82 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -127.05 155.53 43.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.7 t -89.25 122.88 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -88.46 150.13 23.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.23 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -46.68 -53.15 12.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.835 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.568 ' O ' HG12 ' A' ' 95' ' ' VAL . 40.9 mt-10 -49.76 -54.73 17.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.911 -179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -51.61 -36.27 45.11 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -88.77 -18.45 27.73 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -76.61 -26.68 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.103 -179.47 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.9 m -83.84 -42.67 16.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.91 -14.4 63.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tt -110.99 -28.63 8.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.42 74.4 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.397 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.618 2.212 . . . . 0.0 112.168 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.464 0.174 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.44 131.67 11.76 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.442 2.095 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -68.87 -18.81 64.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.766 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -83.99 126.17 70.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.38 134.73 60.51 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.355 2.037 . . . . 0.0 112.232 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -96.97 155.14 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.265 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.7 m -105.85 88.88 2.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.62 49.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.23 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB3' HD12 ' A' ' 10' ' ' LEU . . . -85.31 -38.35 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.2 mp -107.69 132.25 53.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.746 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 60.3 mtt -121.25 29.4 7.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -82.74 -42.5 17.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -69.71 -24.41 63.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.42 28.56 6.21 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.655 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 tt -162.58 147.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.939 0.4 . . . . 0.0 111.19 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -76.46 148.34 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.901 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.7 p -91.92 -40.08 11.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.641 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' HB ' HD23 ' A' ' 21' ' ' LEU . 30.4 m -59.2 145.63 80.47 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.15 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.85 -60.62 0.71 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.373 2.048 . . . . 0.0 112.427 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.529 ' HB2' ' HB3' ' A' ' 23' ' ' SER . 20.5 p-10 -178.82 50.71 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.262 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.514 HD23 ' HB ' ' A' ' 18' ' ' VAL . 4.0 mm? -76.18 -15.57 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 pp -101.82 -3.54 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' ASN . 44.0 t -100.89 -59.66 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' ' 26' ' ' ARG . 11.1 mm-40 -117.49 -36.78 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.302 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 69.95 -13.79 0.4 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.016 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.509 ' HG3' HG22 ' A' ' 28' ' ' VAL . 15.6 ptm180 -75.42 135.38 72.44 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.109 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -87.86 74.98 2.19 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.738 2.292 . . . . 0.0 112.628 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.509 HG22 ' HG3' ' A' ' 26' ' ' ARG . 17.8 m -139.58 173.19 11.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.148 0.499 . . . . 0.0 111.675 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -128.69 136.35 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.467 HG23 ' HG3' ' A' ' 34' ' ' GLU . 38.7 mm -93.46 112.91 58.59 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.53 151.04 75.62 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.55 2.167 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -40.08 -40.48 1.08 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.077 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' HB2' ' OE1' ' A' ' 34' ' ' GLU . 16.1 m-20 -46.3 -58.21 3.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.609 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HG3' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -71.3 -24.06 62.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.676 0.274 . . . . 0.0 110.66 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.684 HD12 HD12 ' A' ' 38' ' ' ILE . 59.6 tp -64.77 -34.92 79.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.495 -179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.95 -33.37 68.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.393 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.23 -31.31 72.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.368 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 HD12 ' A' ' 35' ' ' LEU . 18.6 mt -68.52 -46.59 79.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.585 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 26.8 mtp180 -69.79 -70.38 0.29 Allowed 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 44' ' ' VAL . 40.4 tt0 -39.2 -31.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.715 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.18 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 24.7 m-85 -78.06 -26.7 48.37 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HZ1' ' HD1' ' A' ' 91' ' ' PHE . 2.9 tppt? -61.46 -39.07 89.54 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.392 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 40' ' ' GLU . 18.3 m -71.78 -34.63 52.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.991 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 21.2 m-85 -56.28 -18.4 10.49 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.474 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.93 92.6 0.1 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.853 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -54.86 -45.3 74.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.02 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -78.56 -20.1 51.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.682 0.277 . . . . 0.0 111.527 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.7 19.68 58.6 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 120.915 -0.659 . . . . 0.0 113.141 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -66.86 -7.01 18.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.939 0.399 . . . . 0.0 110.676 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 100.72 -10.43 59.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -125.67 145.6 50.09 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.436 -0.382 . . . . 0.0 110.141 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 HD23 ' A' ' 58' ' ' LEU . 23.2 mt -104.07 116.12 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.938 0.399 . . . . 0.0 111.226 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 41.1 t -79.9 179.48 7.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.473 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.61 ' HB3' ' HG ' ' A' ' 74' ' ' LEU . 3.9 mppt? -61.32 -59.59 5.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.503 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.84 56.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.696 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.55 -47.74 45.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 110.586 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -59.69 -25.3 64.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.775 179.243 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.99 -21.75 73.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.88 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.0 m -80.77 -27.09 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.168 0.509 . . . . 0.0 109.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.58 -51.57 48.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.143 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.8 mmt -58.68 -53.26 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.814 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -53.86 -34.89 60.73 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.389 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.4 t -54.47 -36.84 64.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.687 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.5 mt -81.61 -18.43 44.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.74 21.74 4.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.547 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 68.4 m-85 -127.78 102.91 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.692 0.282 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 51.1 mtt -86.32 109.51 23.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.137 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 80.1 Cg_endo -89.33 143.02 4.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.662 2.241 . . . . 0.0 112.298 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' O ' HD22 ' A' ' 74' ' ' LEU . 4.7 p30 -91.96 179.55 5.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' HA ' HD22 ' A' ' 74' ' ' LEU . 12.4 pt-20 -58.9 -23.2 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.4 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -91.02 -21.72 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mm-40 -88.18 -54.76 4.05 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.61 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -54.44 -15.33 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.576 0.227 . . . . 0.0 111.595 -178.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 74' ' ' LEU . 38.5 mt-10 -80.75 -47.35 14.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.476 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 73' ' ' GLU . 32.1 m -69.89 -21.83 24.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 74' ' ' LEU . 6.9 mt -80.67 -27.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.83 0.348 . . . . 0.0 111.227 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 55' ' ' LYS . 10.2 mm -81.6 -25.25 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.641 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.4 HE21 ' HA ' ' A' ' 76' ' ' VAL . 28.7 pt20 -80.58 -9.7 59.77 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.454 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 80' ' ' ARG . 1.3 mmp_? -79.4 -32.61 42.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 89' ' ' VAL . 6.2 mt -99.01 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -73.54 82.51 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.921 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 66.4 mtp -76.04 -40.29 53.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.541 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -69.07 -24.6 64.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.735 0.302 . . . . 0.0 111.518 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.28 46.04 6.72 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.536 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -98.9 9.62 43.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.0 110.694 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.32 -16.6 7.34 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 44.3 mt-30 -129.09 161.61 29.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.081 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 81' ' ' LEU . 47.5 t -92.7 126.26 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.14 149.87 22.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.504 ' HD1' ' HZ1' ' A' ' 43' ' ' LYS . 23.2 t80 -49.15 -56.01 10.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.739 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 95' ' ' VAL . 44.6 mt-10 -52.22 -55.63 19.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 111.887 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.4 -24.61 12.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.701 0.286 . . . . 0.0 111.406 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -90.56 -34.93 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.4 m -65.5 -31.62 54.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.413 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.523 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 58.0 m -76.56 -46.55 25.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.334 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.02 -14.96 58.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.3 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 98' ' ' LEU . 7.3 tt -108.22 -24.55 11.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.026 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.15 100.45 1.11 Allowed Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.673 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' A' ' 96' ' ' THR . 60.5 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 122.38 2.053 . . . . 0.0 112.38 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.523 0.202 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.7 0.72 8.93 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.676 2.251 . . . . 0.0 112.606 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -103.07 10.89 37.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.015 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -61.12 155.94 52.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.68 155.23 43.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.4 2.067 . . . . 0.0 112.119 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 m -115.74 134.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.484 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 m 58.64 -86.29 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.516 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.12 117.06 3.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.73 67.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.021 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.2 tp -93.2 88.33 6.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.637 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 16.8 tpt -123.54 152.23 42.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -62.13 -14.19 34.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.277 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' H ' ' HG3' ' A' ' 11' ' ' MET . 15.9 ptm180 -162.04 147.8 13.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.97 -150.31 7.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 tp -144.06 145.4 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.762 0.315 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -108.4 160.34 15.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -145.63 -30.94 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 m -100.07 122.11 51.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 11.6 Cg_endo -88.48 -59.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.852 2.368 . . . . 0.0 112.352 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -130.2 94.63 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -131.69 -5.44 3.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.6 pt? -62.04 -24.76 67.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.7 t -110.12 -51.62 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.266 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.85 -18.18 64.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.968 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 61.43 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.35 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -54.36 152.49 11.64 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.047 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -81.52 32.45 0.52 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.705 2.27 . . . . 0.0 112.752 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.17 164.46 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -178.16 161.34 1.47 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.674 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.0 mm -60.96 136.69 93.64 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -49.77 150.54 9.15 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.821 2.348 . . . . 0.0 112.559 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -47.66 -14.59 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.084 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.29 -52.17 22.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.502 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.1 -18.93 62.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.321 . . . . 0.0 111.009 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 38' ' ' ILE . 5.7 tp -77.67 -32.19 52.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.805 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.612 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -62.02 -37.59 85.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.537 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.4 -29.66 70.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.73 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.503 HD12 HD12 ' A' ' 35' ' ' LEU . 19.0 mt -64.7 -39.93 87.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.007 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HD3' ' HA ' ' A' ' 36' ' ' GLU . 24.8 mtp180 -63.55 -69.85 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.461 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -38.97 -31.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -65.01 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 45.8 m-85 -76.47 -25.87 54.76 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 2.4 tppt? -61.52 -36.73 81.38 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.463 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 41' ' ' ALA . 26.9 m -74.44 -34.25 35.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.075 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 37.3 m-85 -61.52 -18.02 57.33 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.158 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -73.97 87.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.825 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -53.72 -36.24 62.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.871 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -78.33 -20.34 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 111.305 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 57.14 16.56 19.82 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.782 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -73.0 -0.84 14.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.668 0.271 . . . . 0.0 111.269 -179.791 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.427 ' N ' HD22 ' A' ' 50' ' ' ASN . . . 98.01 -17.58 58.49 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.652 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' H ' HD22 ' A' ' 50' ' ' ASN . 3.1 m-85 -114.36 150.7 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.789 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 22.4 mt -118.7 121.22 66.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.395 . . . . 0.0 111.395 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -82.3 -179.19 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.595 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.575 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 3.8 mppt? -65.42 -49.57 68.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.736 0.303 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -55.11 -40.96 71.05 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.36 -45.25 63.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.458 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -60.13 -27.47 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.077 179.31 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.42 -20.77 67.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.097 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.5 m -86.33 -25.07 25.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.117 0.484 . . . . 0.0 110.303 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.24 -47.89 54.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 mmt -62.67 -51.02 68.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -53.68 -33.15 54.41 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.69 0.281 . . . . 0.0 111.077 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -58.47 -41.03 84.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.9 mt -76.28 -19.27 58.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.04 16.41 5.78 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.42 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.46 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 84.3 m-85 -121.3 100.63 7.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.598 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -85.79 108.68 17.64 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 74.9 Cg_endo -88.74 136.78 3.21 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -77.93 175.32 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.689 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -59.62 -26.11 65.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 p -89.81 -23.53 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -74.8 -55.02 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.519 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.4 pp -53.27 -16.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.687 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' N ' HD12 ' A' ' 74' ' ' LEU . 17.1 mm-40 -78.01 -37.37 47.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.555 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 HD12 ' A' ' 77' ' ' ILE . 18.0 m -90.23 -38.34 10.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.459 HD12 HG23 ' A' ' 76' ' ' VAL . 1.8 mp -58.22 -38.33 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.503 HG13 ' HG3' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -69.19 -30.4 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.778 -179.387 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 77.5 mt-30 -71.42 -12.94 61.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.568 0.223 . . . . 0.0 111.497 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.82 -31.91 67.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.27 -37.06 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.227 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.11 87.88 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.94 -59.88 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.849 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -68.6 -21.86 64.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.428 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.24 44.43 13.54 Favored Glycine 0 CA--C 1.518 0.219 0 C-N-CA 120.924 -0.655 . . . . 0.0 113.491 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -89.13 12.99 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 110.535 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 80.8 -16.14 16.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.375 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' NE2' ' HB2' ' A' ' 52' ' ' PHE . 40.8 mt-30 -128.86 160.23 33.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.667 0.27 . . . . 0.0 110.769 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.04 129.47 67.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.294 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -87.95 154.44 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 95' ' ' VAL . 34.1 t80 -50.27 -57.12 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.802 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.4 mt-10 -45.48 -58.47 3.35 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.17 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.87 -28.52 3.82 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -88.37 -24.77 23.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 92' ' ' GLU . 1.8 m -69.48 -30.97 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.654 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.1 m -81.14 -46.05 15.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.652 0.263 . . . . 0.0 111.502 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.65 -22.26 66.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt -105.27 -16.71 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.732 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.54 176.35 43.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.496 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo . . . . . 0 C--O 1.248 1.012 0 C-N-CA 122.633 2.222 . . . . 0.0 112.309 179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.553 0.216 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.95 156.13 40.51 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.475 2.117 . . . . 0.0 112.231 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -73.25 -6.92 49.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.25 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -65.7 149.97 96.76 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.58 155.46 45.01 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 6' ' ' VAL . 9.3 p -102.76 23.77 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.215 0.531 . . . . 0.0 110.92 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 49.6 m -58.53 110.38 0.97 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 -175.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.102 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.1 -70.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.223 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 10' ' ' LEU . 2.1 mm? -100.46 -79.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.9 tpt 64.32 4.16 2.07 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -90.24 -57.63 2.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.809 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -115.07 157.03 24.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.27 38.99 2.64 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.747 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.46 140.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -133.72 129.17 36.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.4 m -157.5 90.95 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 4.8 m -61.1 109.84 2.47 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' VAL . 6.3 Cg_exo -74.32 -53.62 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.692 2.261 . . . . 0.0 112.16 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -137.58 105.27 5.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -135.94 4.76 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.585 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 22' ' ' LEU . 1.9 pt? -71.18 -38.19 72.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.428 ' N ' ' HG ' ' A' ' 22' ' ' LEU . 56.6 m -107.15 5.44 27.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.986 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 1.8 mp0 -104.35 35.66 2.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.04 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 67.14 115.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.232 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -98.79 153.67 37.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.42 117.24 4.69 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.521 2.147 . . . . 0.0 112.228 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.2 m -119.82 169.34 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.261 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 60.2 -170.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mm -84.78 130.47 52.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.796 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.12 150.35 84.8 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.385 2.057 . . . . 0.0 112.236 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -48.6 -12.61 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.964 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.87 -32.01 51.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.603 0.239 . . . . 0.0 110.986 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -84.92 -22.79 29.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.864 0.364 . . . . 0.0 110.775 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 38' ' ' ILE . 5.4 tp -63.97 -33.77 76.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.408 -179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.31 -29.0 68.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.679 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.34 -32.61 72.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.633 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 35' ' ' LEU . 10.5 mt -66.74 -58.43 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.283 0.563 . . . . 0.0 110.767 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 61.4 mtp180 -60.99 -61.87 2.27 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.373 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -38.45 -33.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.793 0.33 . . . . 0.0 111.559 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.45 -82.71 0.03 OUTLIER 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 42.2 m-85 -78.43 -25.89 46.13 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.6 tppt? -61.78 -39.25 91.01 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 41' ' ' ALA . 28.4 m -69.89 -34.96 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.071 0 C-N-CA 120.194 -0.603 . . . . 0.0 110.899 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 30.3 m-85 -58.52 -17.99 25.72 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.447 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.21 88.68 1.15 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.769 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -53.88 -42.67 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.63 -19.27 53.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.225 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.24 25.99 60.88 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.29 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -74.01 -10.05 59.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.867 0.334 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.93 -20.56 31.12 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.638 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.51 140.62 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.662 0.267 . . . . 0.0 110.421 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 28.2 mt -99.89 113.35 35.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.85 0.357 . . . . 0.0 111.264 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.497 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 33.5 t -71.13 177.92 3.54 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.72 ' HD3' ' H ' ' A' ' 55' ' ' LYS . 2.8 mppt? -62.05 -57.16 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.516 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.32 -31.67 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.729 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.67 -48.65 37.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 110.783 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.443 HD22 ' CD1' ' A' ' 78' ' ' ILE . 5.2 tp -61.74 -21.62 64.68 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.17 -22.66 70.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.849 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 HH21 ' A' ' 63' ' ' ARG . 85.0 m -81.38 -32.08 33.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.2 0.524 . . . . 0.0 109.739 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.35 74.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.244 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 mmt -65.6 -51.44 59.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.833 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.554 HH21 HG23 ' A' ' 60' ' ' THR . 40.5 ptt180 -55.83 -31.58 62.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.727 0.298 . . . . 0.0 110.992 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 t -55.03 -34.8 63.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 mt -78.65 -19.32 52.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.87 13.16 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' O ' ' HD3' ' A' ' 69' ' ' PRO . 76.0 m-85 -117.98 103.62 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.638 0.256 . . . . 0.0 110.635 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 46.5 mtt -87.52 108.9 22.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.065 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 67' ' ' TYR . 69.8 Cg_endo -89.62 144.6 4.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -81.56 171.94 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.401 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HA ' HD22 ' A' ' 74' ' ' LEU . 10.1 pt-20 -61.22 -19.67 61.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.917 0.389 . . . . 0.0 110.476 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -19.67 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.22 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.2 mm-40 -87.0 -55.06 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.298 -178.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.6 ' HG ' ' HB3' ' A' ' 55' ' ' LYS . 1.1 pt? -56.38 -14.43 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 111.388 -178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.452 ' N ' HD23 ' A' ' 74' ' ' LEU . 46.0 mt-10 -84.92 -33.92 22.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.275 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 73' ' ' GLU . 27.3 m -84.09 -20.6 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.788 0.328 . . . . 0.0 111.57 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 74' ' ' LEU . 7.3 mt -80.71 -25.92 11.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.617 HG13 ' HG3' ' A' ' 55' ' ' LYS . 15.8 mm -74.92 -29.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.815 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -78.46 -9.18 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.576 0.227 . . . . 0.0 111.41 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -79.34 -34.05 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.0 mp -100.43 -36.46 9.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -73.31 87.64 1.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.9 mmt -54.59 -55.94 24.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 86' ' ' ASP . 11.3 p-10 -68.81 -21.37 64.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.034 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 69.59 48.4 43.67 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.408 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.408 ' HB3' ' OD2' ' A' ' 84' ' ' ASP . 4.9 p-10 -87.69 13.16 10.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 110.782 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.96 -14.47 32.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' ' 54' ' ' SER . 45.7 mt-30 -132.86 139.16 47.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.92 129.52 37.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.21 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -91.35 150.24 21.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.241 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.81 -56.57 11.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.831 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 95' ' ' VAL . 44.5 mt-10 -45.82 -56.21 5.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.998 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -48.45 -35.27 12.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.673 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -90.43 -20.47 22.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.91 -28.24 18.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.237 -179.411 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.0 m -83.21 -44.35 15.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.804 0.335 . . . . 0.0 110.994 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.35 -15.53 60.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.7 tt -112.02 -26.27 8.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -141.54 99.73 0.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.508 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.325 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.482 0.182 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.13 148.02 30.53 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.416 2.077 . . . . 0.0 112.435 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -81.09 10.81 4.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -102.45 101.61 20.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.65 164.0 32.92 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.565 2.177 . . . . 0.0 112.389 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.77 -45.57 7.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -156.27 -62.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.23 167.06 8.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.104 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.18 -70.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.918 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.51 127.35 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.504 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.14 -168.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -56.4 -51.53 68.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 55.66 79.01 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.57 90.16 1.14 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.355 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -129.89 135.53 60.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 43.23 75.49 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.514 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -101.44 99.32 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 21' ' ' LEU . 11.8 m -91.66 119.55 68.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.11 -58.34 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.651 2.234 . . . . 0.0 112.137 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -124.03 105.75 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -127.52 16.8 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.746 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.7 pt? -107.72 -20.05 13.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.59 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.5 m -82.9 -51.89 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.44 -30.25 30.18 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.631 ' HG3' ' H ' ' A' ' 26' ' ' ARG . 6.8 tp60 58.48 -173.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.823 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.631 ' H ' ' HG3' ' A' ' 25' ' ' GLN . 16.9 ptm180 -59.0 147.35 74.31 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.855 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 11.4 Cg_exo -70.55 145.65 53.17 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.717 2.278 . . . . 0.0 112.424 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.9 m -128.42 168.15 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 61.22 -155.47 0.35 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.7 mm -77.39 131.15 72.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.155 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.17 147.13 78.45 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.285 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -47.79 -23.72 0.8 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.843 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -53.26 -41.28 65.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.608 0.242 . . . . 0.0 111.579 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.46 -22.28 35.28 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.958 0.408 . . . . 0.0 110.788 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD12 HD12 ' A' ' 38' ' ' ILE . 18.7 tp -74.53 -33.32 62.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.631 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.37 -33.07 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.68 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -72.71 -35.22 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.703 HD12 HD12 ' A' ' 35' ' ' LEU . 64.1 mt -61.06 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.953 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 4.7 mtp180 -68.27 -70.42 0.26 Allowed 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -39.1 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 44' ' ' VAL . . . -66.05 -79.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.535 ' HA ' ' HD2' ' A' ' 45' ' ' PHE . 28.0 m-85 -78.31 -27.44 47.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -58.24 -39.62 79.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 41' ' ' ALA . 32.7 m -71.56 -36.42 60.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.085 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.914 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' HD2' ' HA ' ' A' ' 42' ' ' PHE . 36.4 m-85 -59.72 -18.14 40.34 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.344 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -70.44 89.37 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.973 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -51.75 -41.48 61.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.683 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -78.06 -20.23 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 111.187 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 58.45 17.59 33.38 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.059 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -77.59 6.35 7.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.813 0.34 . . . . 0.0 111.044 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.47 -13.94 65.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.27 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -116.72 138.7 51.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 0.0 110.556 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 42' ' ' PHE . 31.0 mt -106.67 118.33 54.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.1 t -74.87 -179.86 4.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.605 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.66 ' HB3' HD13 ' A' ' 74' ' ' LEU . 3.4 mppt? -66.43 -49.04 68.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -57.94 -37.61 74.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -73.47 -46.26 49.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.62 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 58' ' ' LEU . 1.4 tm? -60.78 -24.61 65.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.258 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.97 -19.34 69.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.845 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.418 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 60.8 m -86.48 -28.93 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.04 0.448 . . . . 0.0 110.378 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -43.01 81.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.316 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 97.4 mmm -67.59 -50.02 60.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.534 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 60' ' ' THR . 16.3 ptm180 -60.63 -27.87 68.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.108 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.5 t -55.94 -37.61 69.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.14 -12.34 59.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.015 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.22 16.58 8.25 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.461 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -126.22 93.17 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.708 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -84.1 112.27 39.68 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.24 -179.703 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 68' ' ' MET . 5.5 Cg_endo -85.53 151.44 10.31 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.889 2.392 . . . . 0.0 112.106 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -83.84 169.48 15.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.7 OUTLIER -57.5 -28.81 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -86.32 -19.45 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.554 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 76' ' ' VAL . 15.8 mm-40 -84.15 -48.74 9.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.452 -179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 55' ' ' LYS . 2.7 pp -55.61 -14.32 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.39 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.457 ' HG3' HD12 ' A' ' 74' ' ' LEU . 47.1 mt-10 -85.77 -38.85 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 73' ' ' GLU . 33.6 m -77.07 -27.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.701 0.286 . . . . 0.0 111.651 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.0 -27.44 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.207 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG13 ' HG3' ' A' ' 55' ' ' LYS . 8.1 mm -82.07 -22.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.871 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 76' ' ' VAL . 10.8 pt20 -80.42 -14.04 58.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.975 -179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -79.61 -31.61 41.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 81' ' ' LEU . 7.1 mp -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.778 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -70.41 81.68 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.0 mtm -73.08 -43.85 61.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.928 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.18 -21.24 64.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.307 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.11 37.89 27.61 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 113.26 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -92.2 6.72 45.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.833 0.317 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 82.68 -18.37 15.71 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -124.73 165.68 17.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.8 0.334 . . . . 0.0 111.008 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.2 t -107.5 129.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -91.63 150.76 21.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.405 ' O ' HG13 ' A' ' 95' ' ' VAL . 26.7 t80 -48.82 -51.55 28.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.491 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 95' ' ' VAL . 42.7 mt-10 -52.72 -53.59 45.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.266 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.96 -22.35 37.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.887 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -90.47 -30.04 17.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.073 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 92' ' ' GLU . 33.3 m -74.11 -32.83 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 50.4 m -76.82 -47.78 20.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.669 0.271 . . . . 0.0 111.499 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.21 -23.34 67.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.064 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.0 tt -100.55 -17.55 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -116.99 81.52 0.31 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.486 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.565 2.176 . . . . 0.0 112.418 -179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_