data_1dgn_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 1dgn _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.879 0.371 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -59.53 4.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -48.17 -56.31 8.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.03 -69.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.558 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -57.37 -42.54 82.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.675 ' HD2' HD13 ' A' ' 12' ' ' ILE . 54.9 mmtt -87.91 24.99 1.64 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.112 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.2 ttp180 -76.38 -31.8 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.682 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -76.75 -27.96 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.388 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.675 HD13 ' HD2' ' A' ' 9' ' ' LYS . 49.0 mt -75.7 -70.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -47.37 -45.91 25.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.789 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.1 tt -62.22 -50.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' N ' HG21 ' A' ' 14' ' ' ILE . 41.2 m80 -89.2 52.82 2.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.69 0.281 . . . . 0.0 111.312 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 38.5 m -171.13 -53.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.332 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.2 p -41.64 123.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.5 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 144.2 25.71 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.355 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.95 -22.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.97 -62.7 2.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -45.43 -37.82 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.5 0.19 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.15 -50.53 54.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.171 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -40.67 85.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.89 0.376 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.43 56.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.48 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.94 -57.95 3.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.322 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.36 -31.99 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -63.65 -43.52 96.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.02 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 7.6 t -63.53 -42.05 98.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.637 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -55.86 -43.66 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.436 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.52 -43.99 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -76.67 -19.63 57.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 67.58 28.77 7.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.908 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.5 p -69.86 -39.01 77.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.052 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.83 -169.32 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -138.97 156.95 46.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.789 0.436 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 9.0 tp-100 -45.97 -26.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.21 -52.32 24.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.7 -48.43 66.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpt -47.45 -33.91 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 41' ' ' ASN . 2.1 m120 -72.67 -36.04 67.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -51.85 -52.7 47.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 t -69.9 -45.25 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.644 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -52.97 -31.79 42.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.582 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.96 -26.68 6.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 51.45 98.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -76.09 -71.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 49' ' ' THR . 25.0 t0 -160.66 -141.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.543 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 88.7 m -42.84 158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.508 ' N ' HG22 ' A' ' 49' ' ' THR . 42.8 t -46.87 -41.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.758 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtp -45.49 -33.95 2.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.825 0.345 . . . . 0.0 111.02 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.72 -50.72 7.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.498 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.66 ' CB ' ' HZ3' ' A' ' 53' ' ' LYS . 9.2 mtmp? -60.62 -24.13 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.461 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.45 -55.32 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -44.55 -40.29 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 57' ' ' LEU . 35.0 m -75.4 -41.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.534 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.9 tp -63.02 -50.73 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 tt -62.35 -35.79 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.404 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -71.26 -59.52 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.59 -41.68 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 57' ' ' LEU . 74.4 t -60.62 -68.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.668 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -43.84 -35.75 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -54.41 -39.09 64.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -75.98 27.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.91 172.62 39.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.406 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.05 -10.66 23.0 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.829 2.353 . . . . 0.0 111.875 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HZ3' ' HG3' ' A' ' 67' ' ' LYS . 2.5 tmtp? -61.34 -29.45 69.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.908 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.5 t -79.18 -41.49 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.2 p -42.42 -35.4 1.02 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.194 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 m -57.44 -65.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -56.62 -32.32 65.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 74.7 mt -54.26 -34.15 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.456 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.96 -58.99 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.02 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 4.3 m-70 -55.2 -39.1 69.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.12 -38.68 92.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 97.6 m -56.99 -45.47 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.573 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.16 -25.73 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.745 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -81.48 -33.06 32.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.472 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -150.31 103.76 3.12 Favored Pre-proline 0 N--CA 1.471 0.578 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.913 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.58 -14.88 10.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.423 1.416 . . . . 0.0 111.874 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -65.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.358 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 85' ' ' SER . 18.2 tp -61.39 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.072 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.06 -6.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.9 t -66.1 -45.06 82.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.304 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -79.77 3.26 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.359 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 41.6 mmm . . . . . 0 N--CA 1.473 0.688 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.235 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.66 -45.33 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.2 mm? -56.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt-85 -39.33 -53.11 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.635 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -65.36 -49.84 67.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -84.13 17.2 2.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.4 ttp85 -66.87 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -77.44 -29.29 52.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.4 mt -75.96 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.979 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -57.77 -56.03 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.282 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.557 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.6 tt -48.39 -49.95 12.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.341 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.557 ' N ' HG21 ' A' ' 14' ' ' ILE . 39.8 m80 -92.34 55.65 2.59 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -167.26 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 0.0 111.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.8 p -42.29 122.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.25 142.97 22.56 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.578 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -39.72 -28.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 0.0 111.692 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -75.72 -62.19 2.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.757 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -45.48 -34.71 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD12 HG11 ' A' ' 50' ' ' VAL . 88.8 mt -53.63 -52.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.718 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -61.52 -40.15 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.489 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -26.75 60.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' C ' ' A' ' 25' ' ' LEU . 2.2 tm? -74.2 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.23 -31.27 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.87 -48.45 80.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.929 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -59.77 -42.84 94.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.33 -44.5 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 35.2 mt -60.69 -41.03 94.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.52 -42.13 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.002 0.43 . . . . 0.0 110.148 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 4.5 m-20 -82.31 -17.9 44.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.348 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.7 mt-10 65.33 38.58 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -78.21 -40.31 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.228 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -89.05 155.39 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.865 0.364 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' ASP . 55.2 m -95.09 145.83 24.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.69 ' NE2' HD22 ' A' ' 41' ' ' ASN . 14.0 tm0? -41.2 -33.24 0.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.928 0.394 . . . . 0.0 111.055 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.299 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -66.84 -50.03 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 ttt -47.91 -33.6 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.459 . . . . 0.0 109.783 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.69 HD22 ' NE2' ' A' ' 37' ' ' GLN . 2.2 m120 -69.8 -36.28 75.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.504 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.11 -46.48 68.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.922 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 tpt85 -58.25 -11.03 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.046 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.49 -19.35 47.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 52.41 80.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -74.8 -62.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.552 ' CG ' ' H ' ' A' ' 49' ' ' THR . 16.6 t70 -160.71 -140.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.552 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 41.2 p -60.3 175.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.418 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG11 HD12 ' A' ' 22' ' ' ILE . 49.5 t -52.25 -32.46 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.45 -43.66 55.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.29 . . . . 0.0 111.191 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.6 -43.05 21.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 42.5 mttp -58.73 -36.34 74.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.244 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.61 -44.99 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -50.88 -43.56 59.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG21 ' N ' ' A' ' 57' ' ' LEU . 33.8 m -78.17 -46.58 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.511 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.7 tp -52.82 -52.28 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.047 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 tt -65.05 -32.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.44 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.28 -51.61 43.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.411 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.13 -49.79 50.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.001 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.3 t -49.97 -59.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -56.87 -28.21 61.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -64.71 -39.85 96.99 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 27.4 mmtm -77.27 28.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.755 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.8 170.98 39.12 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.9 Cg_endo -75.06 -10.82 21.28 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.801 2.334 . . . . 0.0 111.92 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -29.24 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.859 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.4 t -77.16 -36.28 55.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.333 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -44.34 -45.15 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.39 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.482 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m -54.42 -54.86 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 53.4 mtmt -69.18 -19.11 63.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.388 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -75.34 -53.2 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.14 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 55.0 mt -61.33 -37.25 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.428 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -67.26 -48.56 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.307 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.929 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 2.5 m-70 -64.52 -46.95 80.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.38 -33.79 68.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 84.3 m -61.57 -52.52 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.513 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.604 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -90.83 -30.69 16.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.806 0.336 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -150.15 99.16 3.26 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 -14.76 9.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.466 1.444 . . . . 0.0 111.992 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -71.92 -62.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.8 -48.6 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -14.87 0.64 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -54.11 -35.3 62.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.517 . . . . 0.0 109.728 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 1.8 mptp? -86.79 -35.98 18.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.158 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 N--CA 1.469 0.492 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.622 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.989 0.424 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -41.73 -56.28 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.5 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -52.78 -60.84 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -64.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.753 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.37 -41.3 96.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -85.1 12.55 7.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.88 -48.51 81.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -59.83 -26.22 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.54 -72.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.514 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -45.27 -53.58 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.486 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.544 HG21 ' N ' ' A' ' 15' ' ' HIS . 8.2 tt -51.6 -50.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.576 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' N ' HG21 ' A' ' 14' ' ' ILE . 40.2 m80 -97.17 52.96 1.16 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.61 0.364 . . . . 0.0 111.028 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.1 m -167.63 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.4 p -42.05 126.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.475 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.01 140.66 20.98 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.74 -27.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.383 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -62.38 3.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.691 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.7 m -44.39 -36.32 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.564 0.221 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 ' NZ ' ' A' ' 53' ' ' LYS . 74.1 mt -55.02 -48.37 75.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.68 -39.74 92.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.875 0.369 . . . . 0.0 111.195 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 -26.58 55.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.526 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -75.31 -57.79 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.419 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.14 -35.95 70.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.754 0.311 . . . . 0.0 110.744 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.3 -44.56 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.053 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -62.32 -43.22 99.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -49.39 -47.08 48.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.8 mt -57.39 -43.36 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.381 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.63 -45.42 13.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.721 ' HB3' ' HZ1' ' A' ' 71' ' ' LYS . 10.1 m-20 -79.03 -19.29 51.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LEU . 9.7 mt-10 66.14 34.22 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.864 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -75.38 -40.59 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.9 pt -89.14 156.24 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.316 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.2 t -99.7 153.75 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.527 HE21 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -46.49 -27.36 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.199 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.527 ' N ' HE21 ' A' ' 37' ' ' GLN . 73.9 mm-40 -70.14 -39.25 75.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.17 0.51 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD2' HD23 ' A' ' 60' ' ' LEU . 1.2 m-20 -73.92 -55.13 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.991 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -48.01 -29.45 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.101 0.477 . . . . 0.0 109.891 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 1.7 m120 -72.23 -39.33 68.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -55.57 -50.34 70.31 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -70.47 -46.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -59.53 -21.85 60.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 110.651 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.3 -17.88 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 53.8 93.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.8 -59.24 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.3 t70 -162.23 -140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.512 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 9.3 t -62.06 -175.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.354 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 49' ' ' THR . 51.7 t -58.99 -33.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.167 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -56.89 -39.03 73.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.57 -36.28 22.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.666 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.725 ' HZ1' ' HB3' ' A' ' 53' ' ' LYS . 6.9 mtpm? -69.81 -35.36 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 -38.94 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -55.69 -41.2 73.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.023 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.71 -42.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.513 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' HG21 ' A' ' 61' ' ' VAL . 11.1 tp -60.96 -48.34 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.215 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.75 -34.62 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.455 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.49 -56.3 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' OD2' ' A' ' 39' ' ' ASP . 16.1 mt -43.31 -50.94 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 57' ' ' LEU . 86.7 t -51.81 -59.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 m -56.78 -17.82 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -71.2 -38.16 63.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -77.31 29.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.44 171.39 41.33 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 Cg_endo -73.57 -2.39 12.1 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.792 2.328 . . . . 0.0 111.9 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -28.65 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.24 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.864 ' HG ' HG22 ' A' ' 34' ' ' VAL . 5.9 t -81.35 -32.52 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 2.7 p -47.73 -35.93 10.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.04 -71.77 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.721 ' HZ1' ' HB3' ' A' ' 32' ' ' ASP . 30.5 mtpt -48.1 -26.53 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.174 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.54 -42.42 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.425 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 81.7 mt -68.63 -35.14 68.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' A' ' 74' ' ' LYS . 1.2 mptm? -75.0 -42.76 56.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.79 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.053 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 5.0 m-70 -65.1 -39.5 93.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.96 -30.89 70.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 72.5 m -61.18 -52.73 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.536 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.07 -19.77 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.811 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -87.36 -37.74 16.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -150.6 77.35 7.98 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-O 120.683 0.278 . . . . 0.0 111.385 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.21 -23.02 12.28 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.662 2.241 . . . . 0.0 112.251 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -74.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.79 -35.65 61.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.19 -11.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 t -64.32 -48.62 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.101 0.476 . . . . 0.0 110.122 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 6.27 27.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 87' ' ' MET . 14.7 mtp . . . . . 0 N--CA 1.469 0.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.591 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.06 -64.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -44.86 -56.52 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -35.75 -63.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.123 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.467 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -88.4 23.75 2.11 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.97 -29.99 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -75.46 -27.82 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.199 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.18 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.461 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -50.84 -56.88 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.292 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.594 HG21 ' N ' ' A' ' 15' ' ' HIS . 15.4 tt -47.85 -51.53 8.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.277 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.594 ' N ' HG21 ' A' ' 14' ' ' ILE . 40.1 m80 -92.48 52.04 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -164.65 -55.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.1 p -42.87 123.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.89 142.21 21.44 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -39.64 -33.84 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.743 0.306 . . . . 0.0 111.732 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -63.17 3.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -45.19 -42.13 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.315 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.666 HD12 HG11 ' A' ' 50' ' ' VAL . 85.6 mt -45.97 -51.88 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.698 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -60.31 -42.54 95.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.438 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.19 -23.34 59.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.733 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.512 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -77.51 -59.21 2.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.57 -31.88 62.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -61.65 -50.33 72.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.48 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 6.3 p -56.84 -39.89 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 64.1 mt -51.9 -47.47 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.97 -43.7 73.72 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -48.02 -42.0 27.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -77.08 -18.66 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.9 33.22 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.791 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.4 p -75.8 -43.79 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.83 -169.21 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.446 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' GLU . 15.8 m -144.0 151.01 39.15 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.749 0.419 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.667 ' NE2' HD22 ' A' ' 41' ' ' ASN . 13.9 tm0? -36.93 -28.31 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.758 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' SER . 80.0 mm-40 -69.67 -54.4 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -66.33 -46.46 76.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.244 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.537 ' HE2' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -48.42 -33.96 10.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.13 179.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.667 HD22 ' NE2' ' A' ' 37' ' ' GLN . 2.8 m120 -70.64 -38.47 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -48.26 -48.94 35.11 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.934 0.397 . . . . 0.0 110.174 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' H ' ' A' ' 45' ' ' ASP . 6.4 t -74.69 -49.48 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.094 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.537 ' HG3' ' HE2' ' A' ' 40' ' ' MET . 0.1 OUTLIER -64.38 -3.8 3.28 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 43' ' ' VAL . 16.8 t70 -68.47 -11.55 59.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 57.19 76.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -69.19 -78.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.97 -140.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.494 HG22 ' N ' ' A' ' 50' ' ' VAL . 23.9 m -53.67 159.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 22' ' ' ILE . 55.8 t -45.97 -25.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.2 -39.49 90.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.53 -36.79 21.93 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.661 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.674 ' CB ' ' HZ3' ' A' ' 53' ' ' LYS . 8.0 mtmp? -73.03 -34.34 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.1 -34.46 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 73.7 ttt-85 -61.79 -38.64 88.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -78.33 -42.66 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.67 -51.45 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 111.198 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.4 tt -64.4 -36.19 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.521 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.98 -56.69 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.519 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.43 -49.02 36.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.276 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.3 -59.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.178 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -57.96 -18.38 23.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.363 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -76.8 -36.3 37.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.66 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -79.93 31.25 0.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 82.85 167.94 41.91 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.798 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.2 Cg_endo -75.99 -16.09 18.26 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.964 2.443 . . . . 0.0 112.14 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.725 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 7.1 ttpm? -58.49 -23.8 58.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.791 ' HG ' HG22 ' A' ' 34' ' ' VAL . 5.9 t -79.4 -37.1 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.988 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.9 p -46.89 -45.98 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 98.8 m -52.3 -60.21 3.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.29 -34.18 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -61.91 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.488 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 42.7 mt -57.82 -31.03 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 111.242 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' CYS . 91.2 mttt -73.23 -67.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.337 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 80.4 m-70 -44.14 -30.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.51 -35.08 63.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 89.9 m -57.83 -45.27 86.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.635 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.57 -25.56 41.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.975 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -82.88 -30.99 28.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -150.08 101.02 3.2 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.88 -11.28 11.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.366 1.378 . . . . 0.0 111.851 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -76.19 -64.37 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 85' ' ' SER . 5.9 tp -63.69 -46.88 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 109.773 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.76 -12.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.543 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 83' ' ' LEU . 18.2 t -65.2 -45.4 84.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.989 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.63 12.94 2.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.419 ' H ' ' C ' ' A' ' 85' ' ' SER . 19.8 mtp . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.94 0.4 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.65 -68.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.238 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -42.49 -53.48 4.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 111.061 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -57.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.0 -40.05 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.388 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.91 15.19 3.48 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.3 ttp85 -66.19 -39.41 89.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.37 -26.05 58.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.13 -69.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.185 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -48.44 -54.24 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.311 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.9 tt -51.16 -50.05 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.497 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG21 ' A' ' 14' ' ' ILE . 32.8 m170 -91.28 53.04 2.22 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.496 0.318 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -170.3 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.307 . . . . 0.0 111.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.8 p -56.57 124.26 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.394 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.17 145.84 23.5 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.577 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 -30.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.25 -63.97 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -42.12 -36.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.577 0.227 . . . . 0.0 111.417 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 HD12 HG11 ' A' ' 50' ' ' VAL . 78.2 mt -53.74 -56.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.003 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -54.96 -40.13 69.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.785 0.326 . . . . 0.0 111.312 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . . . -75.8 -27.37 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.578 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.18 -58.07 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.257 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.26 -28.56 65.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.0 0.428 . . . . 0.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.75 -48.47 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.336 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.096 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 5.8 t -59.99 -44.19 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -47.54 -47.94 27.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.89 -45.28 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.31 -38.57 28.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.79 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.68 -19.7 54.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 66.04 31.15 9.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.838 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -75.75 -41.8 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.32 -168.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 m -145.92 159.23 43.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.939 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 18.0 tp60 -43.29 -27.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.98 -52.37 29.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.29 -51.37 37.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.32 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.5 tpt -46.14 -31.18 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.534 ' N ' HD21 ' A' ' 41' ' ' ASN . 1.2 m120 -75.08 -39.53 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -51.99 -48.05 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.053 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.17 -49.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.475 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -16.7 36.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -62.73 -17.34 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 56.25 88.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -75.96 -61.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -160.15 -141.54 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 50' ' ' VAL . 24.7 m -65.79 167.65 9.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.59 ' N ' HG22 ' A' ' 49' ' ' THR . 53.7 t -42.39 -46.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -43.77 -38.11 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.168 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -84.13 -45.65 12.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.693 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -63.37 -23.4 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.75 0.31 . . . . 0.0 111.434 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.07 -54.97 4.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -44.73 -40.63 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 57' ' ' LEU . 26.1 m -76.53 -40.63 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.491 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' N ' HG21 ' A' ' 56' ' ' VAL . 11.2 tp -61.48 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -68.74 -27.21 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.428 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.94 -43.9 28.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.66 -42.28 83.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.4 -57.2 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -55.39 -12.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.17 -47.89 68.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.585 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 1.6 mptp? -76.38 28.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 110.776 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.1 177.81 48.31 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.624 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 90.0 Cg_endo -74.15 -5.14 16.52 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.81 2.34 . . . . 0.0 111.949 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.31 -42.81 99.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.329 0.585 . . . . 0.0 109.519 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.838 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.4 t -64.53 -36.05 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.388 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 1.2 p -42.07 -37.95 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.4 m -54.49 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 59.7 mmtt -58.84 -27.78 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -70.58 -54.0 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.316 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 66.5 mt -61.02 -41.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.49 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -68.21 -56.61 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.096 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 6.5 m-70 -54.1 -29.9 46.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.5 tp -74.21 -32.87 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 70.0 m -58.7 -47.46 84.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.673 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.2 pp20? -77.37 -23.9 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 24' ' ' ALA . 60.0 mm-40 -83.16 -34.58 25.96 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -146.2 105.39 4.11 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.954 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.05 -17.14 9.53 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 121.354 1.37 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.577 ' NE2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -73.68 -72.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' N ' ' NE2' ' A' ' 82' ' ' GLN . 13.2 tp -53.01 -41.94 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 109.971 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.52 -9.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.825 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 83' ' ' LEU . 41.9 t -65.96 -48.15 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.924 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -81.67 13.47 3.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.037 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.6 mtp . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -53.87 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.0 mm? -41.68 -33.47 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.253 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.27 -62.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -72.27 10.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.269 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' ARG . 20.6 mmmt -139.42 11.64 2.54 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.756 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.618 ' NH2' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -67.4 -29.73 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.202 179.411 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -76.34 -32.4 58.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.69 -60.64 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.295 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.33 -57.94 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 111.016 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.603 HG21 ' N ' ' A' ' 15' ' ' HIS . 18.7 tt -49.48 -50.73 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.384 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.603 ' N ' HG21 ' A' ' 14' ' ' ILE . 38.2 m80 -88.76 54.78 3.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -170.21 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 111.24 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.7 p -40.43 124.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.535 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.18 146.66 24.03 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.19 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.95 -60.36 2.94 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.611 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.0 m -43.84 -35.83 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.6 0.238 . . . . 0.0 111.374 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.524 HD12 HG11 ' A' ' 50' ' ' VAL . 74.6 mt -53.9 -60.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.047 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.89 -38.24 61.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.5 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -28.36 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.542 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.2 -58.15 3.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.258 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.94 -28.1 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.759 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -63.63 -46.11 87.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.28 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.903 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 11.2 t -63.59 -42.57 98.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.885 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.3 mt -49.34 -49.1 45.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.613 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.8 mt -55.39 -43.59 75.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.394 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -46.65 -42.45 16.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.08 -18.59 49.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' LEU . 28.2 mt-10 65.84 35.19 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.887 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.1 p -75.48 -42.23 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 pt -88.93 156.75 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.77 0.319 . . . . 0.0 110.2 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' ASP . 14.6 p -96.23 150.28 20.71 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.978 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.685 ' NE2' HD22 ' A' ' 41' ' ' ASN . 16.5 tm0? -46.53 -23.08 0.34 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.17 -42.58 55.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' SER . 14.3 m-20 -71.65 -46.02 60.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.7 tpt -51.02 -35.2 32.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.702 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.685 HD22 ' NE2' ' A' ' 37' ' ' GLN . 1.9 m120 -68.61 -36.95 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.551 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.47 -49.38 61.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.31 -38.92 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -72.0 -10.39 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.26 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.49 -10.79 54.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 54.19 89.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.207 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -78.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 49' ' ' THR . 29.4 t0 -161.73 -140.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.723 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.527 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 78.8 p -63.54 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG11 HD12 ' A' ' 22' ' ' ILE . 52.9 t -63.98 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -53.12 -34.39 56.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.996 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -87.31 -41.69 13.46 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 111.224 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.4 -53.17 7.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NE ' ' NH2' ' A' ' 10' ' ' ARG . 34.3 tpt85 -42.7 -45.18 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.228 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 57' ' ' LEU . 23.4 m -76.35 -39.7 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.752 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 ' N ' HG21 ' A' ' 56' ' ' VAL . 7.1 tp -58.16 -58.05 10.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.65 -34.41 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -67.61 -54.81 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.96 -55.12 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -45.8 -54.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -58.29 -28.05 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -69.45 -34.74 74.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 29.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.69 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 80.54 166.3 34.52 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.6 Cg_endo -74.11 -15.31 23.19 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.824 2.35 . . . . 0.0 111.925 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -58.79 -27.17 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.1 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.887 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.1 t -76.85 -39.98 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.986 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -43.72 -39.44 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.87 -64.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -51.65 -38.38 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -57.55 -56.06 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 68.1 mt -54.57 -32.87 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -74.88 -50.13 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.31 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.903 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 1.2 m-70 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.51 -37.94 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 68.3 m -60.7 -38.74 86.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.048 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -79.61 -26.96 41.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.562 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.09 -55.35 5.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.793 0.33 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.68 106.69 26.38 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.358 0.663 . . . . 0.0 110.503 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -81.09 -20.3 7.49 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.317 1.345 . . . . 0.0 112.094 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -66.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.4 tp -59.6 -43.18 93.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.311 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 83' ' ' LEU . 38.4 t -61.2 -42.38 98.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -86.26 -18.29 32.47 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.41 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.411 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 17.7 mtp . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 123.205 0.602 . . . . 0.0 110.708 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.03 -51.56 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.593 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.1 mm? -52.14 -59.29 4.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 110.968 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -38.0 -57.08 1.08 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -67.86 -45.41 74.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.833 0.349 . . . . 0.0 111.2 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD2' HD13 ' A' ' 12' ' ' ILE . 63.2 mmtt -81.86 13.96 2.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' ILE . 23.9 ttp-105 -64.98 -36.93 85.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -78.02 -31.04 50.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 HD13 ' HD2' ' A' ' 9' ' ' LYS . 98.4 mt -75.33 -57.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.354 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.73 -57.8 10.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.599 HG21 ' N ' ' A' ' 15' ' ' HIS . 7.9 tt -47.26 -51.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.599 ' N ' HG21 ' A' ' 14' ' ' ILE . 36.8 m80 -89.39 53.92 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 m -167.85 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.208 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 17' ' ' VAL . 10.0 p -41.19 122.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.358 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.66 143.45 22.49 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -41.47 -24.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.735 0.303 . . . . 0.0 111.474 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.96 -62.13 2.41 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.775 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -45.47 -34.43 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 0.0 111.454 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD12 HG11 ' A' ' 50' ' ' VAL . 87.1 mt -53.69 -59.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -55.46 -37.26 67.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.37 -27.36 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 111.424 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD11 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -74.54 -59.2 2.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD11 ' HE2' ' A' ' 40' ' ' MET . 4.3 pp -59.76 -29.16 67.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -62.57 -44.35 96.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.788 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -64.83 -42.71 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.826 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -51.23 -46.47 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' GLU . 58.9 mt -56.71 -44.57 81.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.346 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -45.64 -45.84 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.727 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.4 -17.7 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.512 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' LEU . 14.1 mt-10 66.06 34.87 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.904 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -75.36 -41.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 pt -89.2 155.9 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.797 0.332 . . . . 0.0 110.378 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ASP . 62.3 m -96.78 150.94 20.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.777 HE21 HD22 ' A' ' 41' ' ' ASN . 60.9 tp60 -45.73 -32.3 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.23 -38.03 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' SER . 58.6 m-20 -73.58 -52.76 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.311 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.487 ' HE2' HD11 ' A' ' 26' ' ' LEU . 12.5 tpt -48.14 -31.14 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.0 109.881 179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.777 HD22 HE21 ' A' ' 37' ' ' GLN . 2.6 m120 -71.64 -39.82 70.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.578 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -48.32 37.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 t -70.72 -45.08 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.25 -0.97 27.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ASN . 17.6 t70 -64.9 -6.76 9.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.99 72.09 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -77.25 -75.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.74 -141.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -64.72 -168.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.651 HG11 HD12 ' A' ' 22' ' ' ILE . 55.5 t -64.74 -34.67 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -36.5 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.15 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -86.83 -40.41 14.95 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.667 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.743 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 10.3 mtmp? -68.61 -29.7 68.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 111.278 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.8 -54.11 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -43.0 -45.08 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG21 ' N ' ' A' ' 57' ' ' LEU . 19.9 m -72.81 -49.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.0 tp -46.77 -55.62 7.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.145 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.56 -29.28 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -68.63 -43.72 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -55.45 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.64 -53.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -35.71 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.307 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -59.34 -39.09 94.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 29.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.72 169.25 35.74 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.601 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.6 Cg_endo -74.82 -12.52 21.92 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.853 2.368 . . . . 0.0 111.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -59.62 -25.23 64.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.904 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.2 t -81.14 -28.26 35.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.3 p -54.15 -39.91 66.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 95.6 m -56.67 -65.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.4 mttt -57.52 -31.46 66.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.69 -51.37 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.484 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 62.8 mt -62.69 -34.48 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.346 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.09 -42.97 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.788 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 39.5 m-70 -69.26 -52.6 26.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.34 -33.61 13.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 78.9 m -63.31 -61.77 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.21 -2.55 2.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.558 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 77' ' ' CYS . 67.2 mm-40 -104.62 -37.45 7.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.713 0.405 . . . . 0.0 111.614 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -150.4 77.49 8.09 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-O 120.758 0.313 . . . . 0.0 111.496 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.97 -26.26 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -69.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.07 -36.29 83.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.56 . . . . 0.0 110.466 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.3 -18.01 46.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 p -57.39 -37.32 72.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.22 -31.08 23.37 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.067 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.0 mtp . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.329 179.702 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.23 -56.28 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -49.34 -59.25 3.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.687 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -55.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.319 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.5 -48.32 78.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -81.87 10.95 5.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.8 tmt_? -60.57 -37.49 81.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.74 -28.59 55.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -78.01 -68.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -46.06 -50.41 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.483 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.569 HG21 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -56.93 -49.52 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.571 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.569 ' N ' HG21 ' A' ' 14' ' ' ILE . 31.7 m170 -93.68 56.71 2.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.546 0.339 . . . . 0.0 111.182 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 36.6 m -172.09 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.281 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.1 133.45 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.599 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.66 151.72 21.06 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.92 -18.92 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.03 -62.67 2.3 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 m -47.24 -37.38 10.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.611 0.243 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD12 HG11 ' A' ' 50' ' ' VAL . 65.3 mt -53.0 -56.69 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.917 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -55.0 -40.55 70.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.769 0.318 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . . . -75.36 -26.72 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.688 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.4 tm? -75.83 -58.2 3.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.87 -31.45 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.11 -43.88 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.225 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.111 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 10.2 t -62.36 -42.9 99.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.551 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -48.63 -45.48 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.93 -40.72 89.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.242 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.78 -45.61 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.407 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.771 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 6.1 m-20 -80.89 -17.2 51.43 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.395 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 64.97 38.07 6.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.877 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -77.4 -39.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.103 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.742 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 17.4 pt -89.02 154.57 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' ASP . 64.6 m -97.93 149.75 22.07 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.369 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -41.86 -31.67 0.34 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.42 -41.82 79.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.396 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.672 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 1.1 m-20 -72.19 -43.02 65.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.237 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 ttt -55.81 -25.37 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -76.94 -39.88 49.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.048 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.748 ' HZ3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -50.59 -51.09 51.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.948 0.404 . . . . 0.0 109.996 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 45' ' ' ASP . 4.1 t -75.37 -52.58 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.689 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -55.22 -10.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.462 . . . . 0.0 111.021 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 43' ' ' VAL . 25.6 t70 -64.17 -16.17 61.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.697 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.65 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -73.68 -81.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 49' ' ' THR . 28.1 p30 -161.85 -138.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 10.6 p -40.38 165.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.613 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.418 HG11 HD12 ' A' ' 22' ' ' ILE . 41.1 t -61.27 -39.85 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpp? -44.81 -38.74 4.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.148 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.46 -49.46 10.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.501 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -56.8 -31.04 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.423 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -46.97 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.87 -37.94 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.749 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.53 -46.84 81.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.433 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.1 tt -69.37 -28.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.749 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -71.73 -43.93 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD23 ' OD2' ' A' ' 39' ' ' ASP . 12.0 mt -58.3 -48.81 79.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.57 -60.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -52.97 -42.15 65.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -52.58 -37.72 50.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.503 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.742 ' HZ1' ' HA ' ' A' ' 35' ' ' ILE . 18.1 mmtp -76.51 28.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.787 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.02 170.41 35.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.533 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.2 Cg_endo -74.86 -10.58 21.52 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.85 2.367 . . . . 0.0 112.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.877 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.2 t -80.52 -32.88 36.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.1 p -50.1 -46.38 53.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.518 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 36.6 t -53.63 -61.9 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.194 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.771 ' HZ3' ' HB3' ' A' ' 32' ' ' ASP . 51.2 mtmt -59.18 -36.44 75.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -58.13 -51.21 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 69.0 mt -61.76 -30.15 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.384 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -72.76 -47.14 49.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.111 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.1 m-70 -65.62 -40.7 92.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 tp -60.71 -32.89 72.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 88.3 m -62.82 -54.66 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.433 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.95 -13.0 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.741 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' OE2' ' HB2' ' A' ' 24' ' ' ALA . 52.4 mm-40 -93.1 -38.84 11.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.33 76.97 8.33 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 120.756 0.312 . . . . 0.0 111.432 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.98 -19.69 6.03 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.68 2.254 . . . . 0.0 112.077 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -69.45 -75.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.634 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.4 tp -53.7 -39.23 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.598 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.47 -9.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.811 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.5 t -65.94 -49.0 69.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.087 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -83.71 11.14 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.173 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.409 ' HE3' ' HB3' ' A' ' 87' ' ' MET . 17.1 mtp . . . . . 0 N--CA 1.468 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.962 0.411 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD11 ' C ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -65.49 -77.71 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.656 -179.27 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.5 mm? -45.51 -60.04 2.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 110.866 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.79 -55.56 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.861 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.74 -48.6 65.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.729 0.299 . . . . 0.0 111.353 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HE3' HD13 ' A' ' 12' ' ' ILE . 19.3 mmmt -87.78 24.06 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 48.3 ttt-85 -76.86 -52.56 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.003 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -45.36 -29.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.26 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 HD13 ' HE3' ' A' ' 9' ' ' LYS . 65.0 mt -78.63 -64.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.492 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -44.5 -53.3 7.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.586 HG21 ' N ' ' A' ' 15' ' ' HIS . 11.0 tt -56.34 -50.2 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.586 ' N ' HG21 ' A' ' 14' ' ' ILE . 45.6 m80 -88.62 52.28 2.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 m -170.29 -57.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.721 0.296 . . . . 0.0 111.419 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -37.15 130.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.884 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.36 149.63 22.08 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.681 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.45 10.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 111.395 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.96 -46.28 17.41 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.9 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -57.73 -35.84 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.577 0.227 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 HD12 HG11 ' A' ' 50' ' ' VAL . 72.5 mt -53.04 -61.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 110.981 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.22 -40.43 47.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.232 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.6 59.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.587 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.405 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.19 -27.16 65.44 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -67.68 -42.32 82.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.288 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.048 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.8 t -65.05 -42.98 93.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.719 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -50.93 -44.55 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.6 mt -57.94 -44.61 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.31 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -46.32 -44.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.37 -17.57 56.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.634 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 32.7 mt-10 64.76 34.34 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.915 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.8 p -75.37 -41.71 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.17 155.76 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.895 0.378 . . . . 0.0 110.354 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' ASP . 43.1 m -95.08 150.0 20.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 3.6 tp-100 -44.42 -31.67 1.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.19 -39.87 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 36.9 m-20 -70.05 -52.24 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.345 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.0 tpt -47.08 -33.96 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m120 -70.95 -36.91 72.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.739 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -51.65 -48.59 63.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.35 -52.33 27.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.017 0.437 . . . . 0.0 110.719 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -19.97 2.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.453 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 52.2 t0 -59.35 -15.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 47.35 80.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 11.8 p30 -70.23 -44.85 67.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.8 t70 -171.52 -139.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.519 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 67.3 p -66.75 -170.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.38 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.521 HG11 HD12 ' A' ' 22' ' ' ILE . 48.8 t -62.27 -51.62 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.062 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.466 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -42.9 -35.76 1.3 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.458 -179.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.62 -44.5 11.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.592 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.83 -21.95 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.208 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.38 -52.12 6.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -44.57 -41.54 6.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG21 ' N ' ' A' ' 57' ' ' LEU . 34.3 m -76.57 -46.24 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.484 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.2 tp -53.24 -55.34 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 tt -61.73 -31.54 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.33 -51.82 47.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.64 -44.21 62.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 72' ' ' PHE . 59.6 t -55.88 -64.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -51.77 -24.32 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.268 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.83 -41.94 93.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -78.48 30.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.899 0.381 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.53 171.22 41.25 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.685 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.4 Cg_endo -74.93 -14.13 21.4 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.871 2.381 . . . . 0.0 112.022 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 67' ' ' LYS . 17.4 ttpp -58.22 -24.93 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 110.434 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.915 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.6 t -81.8 -25.65 35.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 6.1 p -51.76 -45.14 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 20.4 m -54.95 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.5 mmtt -55.03 -31.16 60.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.494 ' CD2' HG22 ' A' ' 61' ' ' VAL . 59.1 t80 -70.23 -72.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.483 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 83.1 mt -43.75 -39.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 -60.99 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.048 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 6.6 m-70 -48.73 -28.65 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.1 tp -75.84 -31.87 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 56.1 m -60.09 -46.66 88.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.538 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.75 -25.24 53.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.681 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -83.61 -30.99 26.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.383 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -150.31 101.34 3.15 Favored Pre-proline 0 N--CA 1.47 0.537 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -82.11 -20.58 6.14 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.46 1.44 . . . . 0.0 111.969 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -68.62 -59.36 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.73 -52.62 56.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.2 -20.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 t -53.5 -35.63 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 109.771 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -84.22 -38.5 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.253 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 27.6 mtp . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.476 179.743 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.495 ' HB2' ' HZ1' ' A' ' 8' ' ' LYS . 13.8 mm100 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.58 -56.54 13.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -50.98 -59.37 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -36.79 -65.02 0.31 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.95 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.495 ' HZ1' ' HB2' ' A' ' 4' ' ' GLN . 33.4 mttp -64.18 -41.9 96.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' HE1' ' A' ' 87' ' ' MET . 61.2 mmtt -81.0 11.72 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -65.53 -46.27 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.975 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -65.73 -30.78 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.334 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.21 -57.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.491 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.63 -51.54 69.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.311 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.552 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.8 tt -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.597 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG21 ' A' ' 14' ' ' ILE . 38.9 m80 -90.89 53.68 2.46 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.012 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -167.27 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -41.07 121.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.462 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.33 145.27 24.08 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.624 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -43.33 -22.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 111.37 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.49 -61.51 2.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.824 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -48.43 -35.77 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.295 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.688 HD12 HG11 ' A' ' 50' ' ' VAL . 89.1 mt -51.59 -61.85 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -51.0 -39.09 54.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.43 51.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 111.507 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.69 -58.76 3.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.343 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 HD11 ' HE2' ' A' ' 40' ' ' MET . 3.1 pp -59.26 -36.08 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.827 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD13 ' A' ' 26' ' ' LEU . 38.9 t70 -57.85 -45.06 86.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.104 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -62.57 -42.67 99.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -49.37 -44.9 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD13 HD12 ' A' ' 35' ' ' ILE . 7.6 mp -59.99 -42.51 94.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -46.7 -40.67 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.49 -19.82 45.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.4 mt-10 67.8 34.05 4.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.884 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.1 p -77.85 -46.29 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD12 HD13 ' A' ' 30' ' ' LEU . 11.3 pt -89.4 156.39 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.901 0.382 . . . . 0.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' ASP . 44.6 m -99.32 150.83 21.72 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.713 ' NE2' HD22 ' A' ' 41' ' ' ASN . 41.9 tp60 -42.18 -30.48 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.72 -44.8 69.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' SER . 19.0 m-20 -68.05 -46.78 70.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.963 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.471 ' HE2' HD11 ' A' ' 26' ' ' LEU . 8.2 tpt -49.91 -35.13 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.772 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.713 HD22 ' NE2' ' A' ' 37' ' ' GLN . 7.1 m120 -66.96 -39.11 87.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.663 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.03 -48.59 52.67 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.098 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.76 -50.79 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.842 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -11.08 4.22 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.698 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.66 -13.32 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 44.22 73.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -63.47 -72.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' A' ' 49' ' ' THR . 25.8 t0 -159.81 -141.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.529 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 7.6 m -45.96 158.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.688 HG11 HD12 ' A' ' 22' ' ' ILE . 50.7 t -47.25 -42.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -44.02 -32.79 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.83 -54.32 4.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 36.8 mttp -54.16 -32.53 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.04 32.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.372 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.1 -44.5 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 57' ' ' LEU . 24.5 m -77.06 -45.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.628 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' N ' HG21 ' A' ' 56' ' ' VAL . 10.5 tp -49.25 -57.75 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 111.27 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 tt -64.13 -32.83 58.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.455 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.3 -52.66 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -47.39 -55.83 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -58.83 -25.96 63.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.384 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -70.57 -39.12 68.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.603 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -78.8 30.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 110.754 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.85 167.22 34.69 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.665 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 Cg_endo -75.43 -15.66 19.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.958 2.439 . . . . 0.0 112.032 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HZ3' ' HG3' ' A' ' 67' ' ' LYS . 2.3 tmtp? -57.23 -25.81 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.536 . . . . 0.0 109.903 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.884 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.7 t -78.15 -25.99 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.911 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.5 p -54.16 -49.63 68.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.185 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.552 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 64.2 m -46.41 -53.26 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.64 -27.22 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.377 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.66 -38.75 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.492 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 73.8 mt -73.96 -33.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.29 -42.69 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.104 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 7.5 m-70 -66.96 -42.47 85.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.01 -30.93 71.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 74.9 m -62.2 -58.21 8.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.8 pp20? -66.82 -14.23 62.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.764 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.93 -49.76 6.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -138.12 78.48 34.34 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 122.7 0.4 . . . . 0.0 111.522 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.19 -23.91 10.5 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.586 2.191 . . . . 0.0 111.941 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.88 -73.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.91 -30.22 61.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 0.0 110.299 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -13.14 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.548 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 p -62.85 -44.59 95.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.976 0.417 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -84.62 -14.81 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 17.4 mtp . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 123.204 0.601 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -44.12 -56.8 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.616 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.9 mm? -50.77 -59.78 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 111.071 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.94 -64.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.596 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -59.86 -42.76 94.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.338 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD2' HD13 ' A' ' 12' ' ' ILE . 30.5 mmtp -85.12 12.01 8.64 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.163 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 6' ' ' LEU . 35.5 ttp180 -62.43 -35.16 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.076 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -77.22 -28.32 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.366 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 HD13 ' HD2' ' A' ' 9' ' ' LYS . 62.7 mt -74.71 -68.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -51.07 -50.12 59.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.657 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.561 HG21 ' N ' ' A' ' 15' ' ' HIS . 9.7 tt -55.36 -50.39 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.561 ' N ' HG21 ' A' ' 14' ' ' ILE . 40.4 m80 -89.73 55.72 3.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.257 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -41.09 121.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.513 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -88.13 138.42 15.04 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -34.39 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -72.61 -49.18 19.75 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.672 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 m -63.26 -36.45 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.61 HD12 HG11 ' A' ' 50' ' ' VAL . 9.4 mt -51.31 -62.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 111.263 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -52.7 -39.43 61.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.516 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.6 -28.03 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.404 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 HD11 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -72.52 -59.02 2.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.181 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.67 -32.43 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.43 -50.91 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.87 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 6.2 t -59.76 -41.28 90.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.76 -48.64 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.15 -42.02 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -47.95 -43.49 29.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.94 -18.66 53.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.443 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 65.4 34.86 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.875 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.5 p -76.92 -39.8 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.98 154.9 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.838 0.351 . . . . 0.0 110.668 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.0 t -91.45 148.06 22.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.762 HE22 HD22 ' A' ' 41' ' ' ASN . 1.0 OUTLIER -46.06 -28.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.471 . . . . 0.0 110.058 179.232 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.03 -37.81 69.68 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 68.0 m-20 -71.63 -49.18 42.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tpt -49.16 -33.8 13.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 0.0 109.921 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.762 HD22 HE22 ' A' ' 37' ' ' GLN . 2.8 m120 -69.69 -38.24 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.61 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -50.74 -48.51 59.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.69 -47.86 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 44' ' ' ARG . 23.8 tpt85 -53.18 -29.92 34.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.774 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -52.34 -19.6 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 43.95 79.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.984 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -59.26 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.551 ' CG ' ' H ' ' A' ' 49' ' ' THR . 34.8 t0 -160.34 -141.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.803 ' HG1' ' HE3' ' A' ' 51' ' ' MET . 68.3 p -52.42 -168.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 22' ' ' ILE . 55.0 t -72.34 -23.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.803 ' HE3' ' HG1' ' A' ' 49' ' ' THR . 1.8 mpp? -61.32 -42.99 99.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.322 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -80.84 -37.49 29.89 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.538 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.96 -41.72 77.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' ILE . . . -74.55 -25.72 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -64.95 -48.39 74.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG21 ' N ' ' A' ' 57' ' ' LEU . 18.8 m -74.43 -46.64 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.437 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' HG21 ' A' ' 56' ' ' VAL . 13.2 tp -45.89 -52.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.32 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' ALA . 19.7 tt -71.03 -26.02 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.205 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.7 -38.38 70.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.49 -44.48 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 72' ' ' PHE . 91.1 t -53.41 -61.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -48.95 -47.77 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.402 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -44.92 -42.95 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.786 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -77.17 28.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.01 170.78 36.51 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 98.3 Cg_endo -76.63 -13.64 18.04 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.91 2.407 . . . . 0.0 112.091 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.62 -24.65 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.329 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.875 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.4 t -80.47 -27.63 37.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 6.7 p -50.05 -50.63 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 13.4 m -45.47 -54.29 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 77.5 mttt -67.02 -25.96 66.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CD1' HG22 ' A' ' 61' ' ' VAL . 56.3 t80 -73.41 -43.48 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.446 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.432 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 46.1 mt -72.48 -31.78 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.337 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.18 -54.7 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.87 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -53.06 -30.49 36.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -74.08 -52.76 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 77.0 m -45.56 -28.27 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -80.31 -46.5 16.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.66 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -74.13 -52.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.622 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.28 97.96 51.36 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.181 0.592 . . . . 0.0 110.99 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -82.91 -13.49 9.22 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.587 1.524 . . . . 0.0 111.946 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -64.93 1.02 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.372 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.71 -44.91 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.152 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.32 -13.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t -54.18 -35.0 61.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 0.0 110.099 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.47 -36.94 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.466 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.727 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.35 -60.76 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.02 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.3 mm? -45.51 -54.97 6.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -40.12 -53.39 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.501 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.23 -43.88 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.448 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD2' HD13 ' A' ' 12' ' ' ILE . 66.4 mmtt -80.97 7.28 11.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.078 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 26.6 ttp180 -58.29 -41.39 84.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.4 -27.26 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 ' HD2' ' A' ' 9' ' ' LYS . 95.5 mt -76.59 -70.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -47.5 -50.99 22.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.572 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.621 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 3.1 tt -54.07 -50.24 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.685 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.562 ' N ' HG21 ' A' ' 14' ' ' ILE . 31.9 m170 -93.41 55.09 2.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.456 0.302 . . . . 0.0 111.208 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 38.3 m -171.42 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 111.216 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' HG11 ' A' ' 17' ' ' VAL . 9.3 p -62.77 127.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.557 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.86 142.76 22.77 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.413 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.09 -28.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.362 . . . . 0.0 111.244 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -63.28 3.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.696 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -42.89 -39.92 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.596 0.236 . . . . 0.0 111.217 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.405 HD12 HG11 ' A' ' 50' ' ' VAL . 64.8 mt -50.21 -56.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.021 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -53.86 -42.77 68.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.35 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.692 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD11 ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -76.72 -58.43 3.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.315 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.72 -30.22 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.76 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.2 -47.14 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.393 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.049 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.7 t -60.5 -41.72 94.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.68 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -50.12 -47.22 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.424 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.75 -41.97 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.132 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.84 -39.21 68.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.607 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.5 -18.29 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 65.71 29.8 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.781 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -77.5 -43.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 pt -89.4 155.55 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.464 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.5 m -103.09 155.13 18.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.975 0.51 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.586 ' NE2' HD22 ' A' ' 41' ' ' ASN . 16.2 tm0? -44.39 -29.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.62 -48.17 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.02 -49.39 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.7 tpt -47.16 -33.58 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.586 HD22 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m120 -72.25 -35.68 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.799 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -52.71 -47.05 67.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.89 -53.77 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 46' ' ' GLU . 9.5 tpt180 -52.02 -15.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.111 0.481 . . . . 0.0 110.802 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 31.2 t70 -69.39 -1.38 8.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.423 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER 32.73 99.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.786 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -76.34 -66.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.754 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 49' ' ' THR . 33.6 t0 -162.56 -140.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.527 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 10.2 m -54.11 162.98 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.216 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' THR . 42.7 t -42.38 -47.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.47 -37.91 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.7 0.286 . . . . 0.0 111.27 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -45.37 13.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.538 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -59.38 -29.89 68.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.251 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.07 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.362 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' HE ' ' CD1' ' A' ' 14' ' ' ILE . 13.4 tpp85 -42.21 -47.58 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 57' ' ' LEU . 35.2 m -75.36 -47.19 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.847 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.524 ' N ' HG21 ' A' ' 56' ' ' VAL . 8.4 tp -50.26 -57.7 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.223 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 tt -61.16 -32.88 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.98 -50.85 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.447 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.59 -38.23 66.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.51 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.222 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -57.57 -19.57 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.55 11.86 17.27 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -138.58 47.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.918 0.487 . . . . 0.0 110.579 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.89 162.78 3.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.572 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.484 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.4 Cg_endo -75.46 -8.64 19.69 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.67 2.247 . . . . 0.0 111.87 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -60.43 -24.36 65.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.046 0.45 . . . . 0.0 110.567 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.781 ' HG ' HG22 ' A' ' 34' ' ' VAL . 5.9 t -80.87 -35.31 32.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.8 p -49.3 -45.96 45.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.499 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 78.5 m -53.33 -60.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 67.0 mttt -61.56 -29.93 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.252 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -65.76 -53.54 39.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.484 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 54.9 mt -60.38 -33.55 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.71 -58.5 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.24 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.049 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 27.4 m-70 -54.02 -31.56 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.973 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.83 -33.74 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.235 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 74.8 m -59.43 -46.47 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.66 -24.06 56.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.682 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.96 -34.85 26.35 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 111.643 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -149.95 108.07 3.24 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 119.232 -0.414 . . . . 0.0 110.975 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.65 -29.7 1.7 Allowed 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 121.442 1.428 . . . . 0.0 111.956 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.25 -62.52 1.82 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.38 -52.51 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.052 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -18.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.949 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -55.41 -36.56 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.859 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -80.92 -37.87 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.94 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 mtp . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.357 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 120.942 0.401 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.96 -59.57 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.3 mm? -48.19 -57.11 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 111.027 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -55.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.502 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.92 -44.27 77.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' HD13 ' A' ' 12' ' ' ILE . 31.9 mmtp -83.05 12.54 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.9 ttp180 -65.05 -34.33 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -78.0 -29.39 49.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.443 HD13 ' HD2' ' A' ' 9' ' ' LYS . 89.3 mt -76.41 -65.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -49.3 -53.59 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.575 HG21 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -53.23 -49.7 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.615 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.575 ' N ' HG21 ' A' ' 14' ' ' ILE . 37.4 m80 -91.21 52.76 2.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -167.67 -52.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.9 p -43.2 124.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.25 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.34 144.02 24.25 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -26.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -62.21 2.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.674 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 m -42.94 -37.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.533 0.206 . . . . 0.0 111.257 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 HD12 HG11 ' A' ' 50' ' ' VAL . 67.3 mt -52.01 -59.32 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.687 0.28 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -52.26 -40.9 62.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.35 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -25.62 56.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.2 tm? -77.48 -58.15 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.58 -28.59 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.718 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -66.43 -44.19 83.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.22 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.929 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -62.59 -43.22 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.676 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.0 mt -49.18 -46.58 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.352 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 80.1 mt -56.14 -44.07 78.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.333 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -45.76 -44.88 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.338 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -79.89 -17.98 51.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 25.7 mt-10 64.81 32.31 11.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.878 HG22 ' HG ' ' A' ' 68' ' ' SER . 4.4 p -75.37 -39.23 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.476 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 pt -88.52 153.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 39' ' ' ASP . 13.9 m -89.93 148.73 22.95 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.775 HE22 HD22 ' A' ' 41' ' ' ASN . 0.1 OUTLIER -46.82 -33.62 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.055 0.455 . . . . 0.0 110.335 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -70.13 -34.14 72.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.499 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 50.7 m-20 -72.05 -51.53 21.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.2 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 40' ' ' MET . 3.3 tmm? -49.24 -31.49 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.775 HD22 HE22 ' A' ' 37' ' ' GLN . 9.6 m120 -68.69 -41.86 78.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -50.5 -48.21 57.03 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 t -70.73 -48.96 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.029 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -11.57 27.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.706 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.07 -12.2 53.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.786 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 50.8 82.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.57 -49.75 17.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.6 t0 -171.62 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.509 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 35.5 p -66.26 179.67 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.472 HG11 HD12 ' A' ' 22' ' ' ILE . 56.0 t -55.9 -33.81 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -40.56 72.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 111.133 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.81 -37.06 21.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.897 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.728 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 10.2 mtmp? -70.01 -32.53 70.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' ILE . . . -79.13 -35.59 41.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -56.7 -43.8 80.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 HG21 ' N ' ' A' ' 57' ' ' LEU . 16.4 m -76.06 -46.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.621 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.1 tp -49.19 -56.17 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.345 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' ALA . 18.2 tt -60.96 -38.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.376 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.67 -56.83 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.172 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.8 mt -44.71 -46.58 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.94 -59.77 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.242 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -58.49 -19.96 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.0 13.84 12.84 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 38.4 mmtm -138.18 44.99 2.12 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.893 0.477 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.87 162.99 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.49 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.0 Cg_endo -74.73 -9.66 21.27 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.762 2.308 . . . . 0.0 111.812 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.37 -25.54 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.982 0.42 . . . . 0.0 110.484 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.878 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.3 t -79.56 -31.57 41.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.848 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.1 p -49.55 -37.7 28.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.13 -69.01 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.061 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.3 mttm -49.48 -26.42 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.59 -53.37 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.162 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.49 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 60.9 mt -60.7 -32.25 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.441 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -74.29 -51.83 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.929 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -59.66 -31.36 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.108 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.8 -33.62 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 91.8 m -58.99 -47.61 84.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.612 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.47 -24.51 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.94 -30.68 26.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.838 0.352 . . . . 0.0 111.267 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -149.75 99.89 3.31 Favored Pre-proline 0 N--CA 1.469 0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.42 -13.12 9.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.47 1.446 . . . . 0.0 111.829 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.02 -63.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.09 -47.03 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.835 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.47 -15.32 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.868 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 t -55.09 -37.06 66.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.93 -35.35 24.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mtp . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.52 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.35 -60.55 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.865 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.1 mm? -48.39 -61.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.421 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -39.45 -50.8 2.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.768 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -70.07 -47.83 60.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -83.11 13.88 3.8 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.651 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.625 HH21 ' NH1' ' A' ' 55' ' ' ARG . 47.0 ttt-85 -61.06 -34.36 74.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -74.73 -26.63 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.282 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -77.71 -69.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.247 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -45.88 -51.37 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.461 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.571 HG21 ' N ' ' A' ' 15' ' ' HIS . 6.3 tt -55.41 -50.03 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.531 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.571 ' N ' HG21 ' A' ' 14' ' ' ILE . 32.1 m170 -91.25 52.57 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 111.025 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -165.9 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 HG23 ' H ' ' A' ' 18' ' ' GLY . 5.8 p -44.12 166.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' H ' HG23 ' A' ' 17' ' ' VAL . . . -146.22 147.24 18.07 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -33.96 -39.5 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.94 -56.17 26.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 m -65.09 -36.79 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.622 0.249 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.656 HD12 HG11 ' A' ' 50' ' ' VAL . 82.7 mt -51.99 -59.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 111.409 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.523 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . . . -75.46 -26.17 58.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.665 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.86 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.06 -26.72 64.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 110.612 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -65.37 -45.15 85.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.35 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.997 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.7 mt -49.93 -47.29 52.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.594 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 33' ' ' GLU . 54.0 mt -56.86 -43.57 81.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -45.62 -46.12 14.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.52 -18.06 55.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mt-10 65.95 34.18 7.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.892 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -75.95 -40.19 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 pt -89.18 156.02 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ASP . 58.7 m -97.83 151.05 20.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -44.62 -31.76 1.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.67 -39.96 80.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.356 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 59.1 m-20 -71.56 -50.83 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 tpt -47.5 -32.33 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 41' ' ' ASN . 2.0 m120 -72.81 -38.35 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -51.34 38.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.81 -49.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.516 ' NH1' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -57.39 -20.81 32.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.535 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -57.57 -19.3 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' OE2' ' NH1' ' A' ' 44' ' ' ARG . 46.5 mt-10 48.64 76.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -64.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -159.88 -141.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 50' ' ' VAL . 11.0 m -57.22 160.73 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.656 HG11 HD12 ' A' ' 22' ' ' ILE . 77.8 t -43.36 -26.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.569 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.35 -42.26 81.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -84.03 -38.82 20.4 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.602 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.713 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 9.9 mtmp? -70.13 -28.5 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.644 0.259 . . . . 0.0 111.243 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.02 -51.06 9.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH1' HH21 ' A' ' 10' ' ' ARG . 14.8 tpp85 -47.39 -42.42 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.486 HG21 ' N ' ' A' ' 57' ' ' LEU . 15.7 m -72.3 -51.49 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.368 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.9 tp -47.62 -54.56 11.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.38 -24.8 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.513 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.96 -41.88 50.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.154 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.7 -40.75 93.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.71 -69.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -49.1 -17.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -78.53 -36.51 29.71 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.526 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 48.0 mmtt -77.65 29.56 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 67' ' ' LYS . . . 77.69 134.46 0.74 Allowed Glycine 0 CA--C 1.533 1.174 0 CA-C-O 118.921 -0.933 . . . . 0.0 112.342 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.0 Cg_exo -41.3 -16.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 CA-C-N 120.576 2.188 . . . . 0.0 113.196 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 65' ' ' GLY . 42.6 tttm -54.54 -26.53 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 110.537 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.892 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.6 t -82.55 -20.14 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.865 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.5 p -59.33 -39.42 83.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.431 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 m -54.26 -61.78 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.346 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 40.1 mttp -60.88 -27.75 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.361 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.81 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 61.2 mt -49.72 -36.03 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.63 -51.0 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.302 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.997 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 6.2 m-70 -59.87 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.11 -33.85 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 93.1 m -59.34 -49.47 77.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.756 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.91 -21.64 59.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.83 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 24' ' ' ALA . 53.5 mm-40 -86.12 -31.91 21.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -147.65 98.85 3.86 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -82.45 -14.04 9.48 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.521 1.48 . . . . 0.0 111.963 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -71.99 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.283 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 85' ' ' SER . 4.3 tp -66.65 -49.5 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.797 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -13.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.5 t -54.61 -35.58 63.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.992 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.15 -35.75 19.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.296 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.469 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.469 0.51 0 CA-C-O 120.989 0.424 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.53 -52.62 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.2 mm? -53.75 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.26 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -38.67 -54.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.704 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -66.12 -48.9 69.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.31 19.19 2.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.003 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 34.4 ttp85 -67.91 -38.05 82.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -74.28 -26.1 60.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -77.48 -68.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.29 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -46.01 -53.06 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.389 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.571 HG21 ' N ' ' A' ' 15' ' ' HIS . 5.5 tt -53.6 -50.73 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.569 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.571 ' N ' HG21 ' A' ' 14' ' ' ILE . 39.9 m80 -88.78 56.42 3.74 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -170.4 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.293 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.457 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -40.43 125.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.646 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.28 142.12 21.06 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.582 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -38.46 -39.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -63.77 3.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 m -42.67 -36.18 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.638 HD12 HG11 ' A' ' 50' ' ' VAL . 92.1 mt -54.05 -52.11 39.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.71 0.29 . . . . 0.0 111.664 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -60.14 -40.15 88.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.404 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.55 -28.6 61.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.9 tm? -73.02 -58.59 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.317 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.1 -29.47 63.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.29 -51.71 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.265 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.024 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -59.11 -40.22 84.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.517 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 mt -55.82 -45.29 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.74 -38.18 66.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -58.14 -35.77 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.77 -18.05 62.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 66.48 27.11 9.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.019 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.46 -47.95 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 pt -90.99 155.3 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 120.947 0.404 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -104.17 164.7 11.54 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -48.48 -28.1 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.16 0.505 . . . . 0.0 109.799 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.89 -63.64 1.02 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.61 -44.18 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.241 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.3 tpt -49.16 -36.53 19.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 3.8 m120 -66.87 -36.81 83.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.008 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.04 -46.31 64.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 45' ' ' ASP . 10.8 t -75.19 -53.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.04 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -57.24 -11.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.107 0.479 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 43' ' ' VAL . 41.2 t0 -56.78 -16.22 6.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 43.89 65.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.05 -56.21 25.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' OD2' ' OD2' ' A' ' 52' ' ' ASP . 21.7 m-20 -159.86 -141.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.95 0.405 . . . . 0.0 110.784 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -60.46 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.268 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 22' ' ' ILE . 44.9 t -61.47 -57.55 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtt -38.28 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 111.689 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' VAL . 20.0 t0 -86.77 -52.57 5.43 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.441 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.669 ' CB ' ' HZ3' ' A' ' 53' ' ' LYS . 8.7 mtmp? -60.25 -29.64 68.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -42.89 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -49.13 -45.94 44.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 57' ' ' LEU . 25.2 m -76.87 -43.99 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.626 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.444 ' N ' HG21 ' A' ' 56' ' ' VAL . 12.2 tp -49.87 -56.44 10.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.241 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -65.98 -33.68 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.444 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -68.51 -33.32 73.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.79 -58.55 4.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.6 t -43.84 -52.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -56.97 -30.24 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -80.77 -38.61 15.86 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.676 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -75.65 28.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 84.58 155.13 22.29 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.454 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 65.6 Cg_endo -78.62 4.68 6.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.401 2.068 . . . . 0.0 112.005 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -62.86 -36.38 83.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -84.56 -11.22 56.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.45 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.4 p -57.97 -51.84 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m -60.51 -53.03 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -60.11 -36.11 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.5 -57.06 13.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.51 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.488 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 67.0 mt -51.25 -38.97 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.607 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.26 -59.34 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.024 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.5 m-70 -50.98 -36.84 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.8 tp -63.99 -31.81 73.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 36.5 m -63.33 -48.65 77.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.7 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -77.45 -13.98 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.792 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -93.93 -35.15 12.8 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -149.89 77.59 8.45 Favored Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 120.636 0.255 . . . . 0.0 111.411 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.79 -28.12 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.697 2.264 . . . . 0.0 112.261 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.38 -72.02 0.16 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.47 -31.56 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.191 0.519 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.03 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.659 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 p -59.76 -39.09 83.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -88.41 -22.11 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 45.2 mmm . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 123.135 0.574 . . . . 0.0 110.333 179.832 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.85 -53.19 59.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.697 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.5 mm? -51.84 -63.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.938 0.399 . . . . 0.0 110.74 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.88 -57.46 0.81 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.815 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -62.96 -50.6 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' SD ' ' A' ' 87' ' ' MET . 36.6 mmtm -82.05 14.69 2.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.0 tpt180 -60.98 -38.55 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -75.04 -27.19 59.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.336 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -76.08 -71.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.243 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -46.58 -50.98 16.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.636 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.549 HG21 ' N ' ' A' ' 15' ' ' HIS . 2.6 tt -53.66 -49.89 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.43 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.549 ' N ' HG21 ' A' ' 14' ' ' ILE . 35.2 m170 -91.75 52.55 2.05 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.209 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 m -168.37 -53.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.317 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.2 p -40.9 123.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.504 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -84.22 142.24 20.39 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.31 -0.472 . . . . 0.0 112.632 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -41.3 -20.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.291 . . . . 0.0 111.417 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.14 -60.16 2.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.693 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -51.61 -31.79 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 50' ' ' VAL . 85.2 mt -56.49 -47.39 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.738 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -65.06 -37.26 86.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.55 -27.42 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.19 -58.23 3.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.438 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -59.45 -32.93 70.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.39 -41.7 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.101 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.8 -43.26 89.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.66 -47.95 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.629 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.4 mt -57.66 -44.56 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -46.22 -40.19 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 14.0 m-20 -80.95 -20.93 40.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.2 mt-10 67.48 34.19 4.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.872 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.5 p -76.3 -37.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 pt -88.62 -168.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.332 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -144.76 156.79 44.24 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.977 0.418 . . . . 0.0 111.06 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.517 ' NE2' ' OD1' ' A' ' 41' ' ' ASN . 9.1 tm0? -42.5 -27.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.102 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.19 -54.54 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 5.0 m-20 -67.15 -47.48 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.684 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 ttt -46.57 -36.63 7.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.11 0.481 . . . . 0.0 110.288 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.554 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.9 OUTLIER -69.89 -37.9 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.768 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -51.42 -48.21 62.76 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.712 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.1 -51.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.991 0.424 . . . . 0.0 111.052 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.45 -21.63 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.868 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -55.46 -23.75 27.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 52.01 90.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -75.59 -64.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 49' ' ' THR . 21.5 t70 -160.81 -141.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.546 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.8 t -52.44 172.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 22' ' ' ILE . 48.3 t -53.25 -38.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -46.07 -40.1 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.714 0.293 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -80.93 -48.74 11.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.267 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.447 ' HZ3' ' C ' ' A' ' 49' ' ' THR . 41.7 mttp -54.23 -34.25 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.187 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.74 -51.34 9.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -42.81 -45.34 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG21 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.58 -51.42 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.606 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' HG21 ' A' ' 56' ' ' VAL . 10.8 tp -47.24 -50.74 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.446 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.67 -26.87 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.38 -42.21 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.86 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.76 -59.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -50.26 -49.26 53.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -46.86 -39.82 11.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.648 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 29.3 mmtm -76.14 28.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.41 169.24 32.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.506 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 85.7 Cg_endo -75.33 -13.89 20.6 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.806 2.337 . . . . 0.0 111.974 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.728 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 7.2 ttpm? -58.9 -26.47 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.325 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.872 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.2 t -79.59 -27.84 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -52.2 -44.16 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.095 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 18.9 t -50.9 -56.8 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.258 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 72.3 mttt -63.88 -28.46 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.29 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -69.63 -41.9 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.483 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 82.5 mt -70.82 -39.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.42 -46.77 69.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.101 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 14.5 m-70 -60.28 -62.86 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -39.52 -39.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.767 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 92.6 m -60.88 -50.91 71.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.88 -11.91 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -107.92 -37.04 6.2 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.273 0.488 . . . . 0.0 112.099 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -134.52 74.28 66.21 Favored Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 120.888 0.375 . . . . 0.0 111.31 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -54.89 -26.41 48.42 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.02 2.48 . . . . 0.0 112.736 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -75.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.7 tp -53.54 -33.37 54.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.02 -10.28 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.554 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 t -64.51 -46.54 82.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.274 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -86.24 1.44 50.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.451 ' SD ' ' CB ' ' A' ' 9' ' ' LYS . 64.7 mmm . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.411 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.89 -63.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.652 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -44.26 -41.23 5.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.991 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 9' ' ' LYS . 57.1 ttt-85 -58.17 -66.7 0.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.224 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -70.95 12.36 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.367 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 7' ' ' ARG . 41.1 mmtm -137.97 6.5 2.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.934 0.494 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' LEU . 55.0 ttp180 -64.56 -33.73 76.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 20.6 ptt180 -73.16 -26.0 61.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.07 -73.48 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -42.51 -47.71 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.494 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.553 HG21 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -60.45 -48.67 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' N ' HG21 ' A' ' 14' ' ' ILE . 36.1 m80 -87.17 50.7 2.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.195 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -169.87 -52.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.205 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 17' ' ' VAL . 7.5 p -41.46 122.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.024 0.44 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.59 144.24 23.08 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.29 -24.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.264 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -59.9 2.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.7 m -44.53 -37.62 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.584 0.231 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.486 HD12 HG11 ' A' ' 50' ' ' VAL . 65.5 mt -51.47 -59.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.921 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.0 -40.73 64.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.472 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.91 56.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.594 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -77.02 -58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.262 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.37 -29.63 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.57 -44.53 90.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.438 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.093 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.2 t -63.99 -40.33 96.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 mt -50.24 -51.17 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.19 -40.62 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.477 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.653 ' CB ' ' HZ1' ' A' ' 71' ' ' LYS . 4.5 m-20 -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.852 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.29 30.18 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.1 p -77.54 -43.41 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.92 155.18 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.132 0.492 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.7 t -94.39 164.57 12.96 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.658 HE22 HD22 ' A' ' 41' ' ' ASN . 0.0 OUTLIER -59.56 -23.65 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -74.16 -40.94 62.24 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.461 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -73.42 -40.99 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 0.0 109.903 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 ttt -56.89 -30.2 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.658 HD22 HE22 ' A' ' 37' ' ' GLN . 2.4 m120 -72.03 -40.47 68.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.18 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.61 -45.68 48.38 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.03 -46.75 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.772 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -62.7 -21.41 65.74 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.153 0.501 . . . . 0.0 110.555 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.92 -3.68 2.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.157 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 44' ' ' ARG . 7.0 pt-20 35.61 83.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.552 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.4 t0 -171.83 -139.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.465 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 5.6 p -64.19 -166.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.448 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG11 HD12 ' A' ' 22' ' ' ILE . 56.4 t -66.7 -38.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.5 OUTLIER -53.86 -35.67 61.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 0.0 111.332 -179.386 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.04 -38.46 14.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.826 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' NZ ' ' C ' ' A' ' 49' ' ' THR . 28.5 mtmm -70.43 -27.59 64.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.75 10.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.471 HH12 ' CZ ' ' A' ' 10' ' ' ARG . 6.2 tpp180 -46.47 -43.82 17.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.889 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 57' ' ' LEU . 16.8 m -75.65 -50.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.8 tp -47.65 -55.49 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.314 . . . . 0.0 111.198 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.25 -34.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.98 -50.55 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.122 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -51.53 -51.33 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 72' ' ' PHE . 64.2 t -47.04 -58.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.363 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 m -57.82 -12.79 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.318 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -68.56 -46.41 62.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.75 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 1.6 mppt? -77.12 29.43 0.14 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.878 0.371 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.02 178.18 46.71 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.562 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.55 -5.96 17.6 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.86 2.374 . . . . 0.0 112.009 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.58 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.839 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.8 t -80.64 -36.88 31.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -43.9 -36.01 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 m -57.38 -65.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.653 ' HZ1' ' CB ' ' A' ' 32' ' ' ASP . 30.1 mtpt -59.41 -30.74 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.414 ' CD2' HG22 ' A' ' 61' ' ' VAL . 53.0 t80 -63.37 -60.47 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 45.4 mt -55.21 -35.02 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.388 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.18 -48.0 46.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.274 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.093 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 15.7 m-70 -63.35 -43.04 98.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.081 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.0 tp -61.18 -34.36 74.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 98.2 m -60.44 -53.16 60.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -69.24 -19.29 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.578 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -89.73 -31.48 17.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.774 0.321 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -150.34 101.46 3.14 Favored Pre-proline 0 N--CA 1.471 0.603 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -82.48 -18.14 7.13 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.489 1.459 . . . . 0.0 112.054 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.64 -57.9 4.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.351 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.0 tp -67.41 -51.16 55.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.2 -13.27 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.842 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 83' ' ' LEU . 13.0 t -55.26 -33.89 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.219 0.533 . . . . 0.0 109.802 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -83.21 -38.72 21.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.044 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.4 mmm . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.493 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.36 -52.11 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -55.72 -59.53 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.215 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' HH22 ' A' ' 10' ' ' ARG . 40.3 ttm-85 -36.52 -59.06 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.985 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -70.08 -43.34 71.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD2' HD13 ' A' ' 12' ' ' ILE . 31.2 mmtp -83.07 17.75 1.88 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.993 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.548 HH22 ' NH1' ' A' ' 7' ' ' ARG . 20.6 ttp180 -72.44 -34.5 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 32.8 ptt85 -76.96 -26.21 53.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 HD13 ' HD2' ' A' ' 9' ' ' LYS . 69.8 mt -76.61 -69.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -48.39 -48.78 36.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.711 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.0 tt -59.15 -49.68 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.798 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.554 ' N ' HG21 ' A' ' 14' ' ' ILE . 35.1 m80 -88.13 53.82 2.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.286 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 35.8 m -172.5 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 17' ' ' VAL . 11.0 p -41.43 130.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.6 156.6 29.22 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.2 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -50.97 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.95 -57.56 10.85 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ALA . 40.8 m -42.68 -60.57 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 mm -35.64 -40.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.116 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -70.58 -41.02 72.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' THR . . . -76.26 -23.77 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.522 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.62 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.16 -30.46 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.22 -42.06 93.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.109 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 5.6 t -67.4 -34.64 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.22 -51.77 66.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.655 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -54.69 -42.86 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -47.0 -45.33 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.321 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.75 -17.83 55.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.573 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 65.28 32.87 9.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.932 HG22 ' HG ' ' A' ' 68' ' ' SER . 4.7 p -76.18 -38.18 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.269 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -88.21 156.93 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ASP . 49.8 m -98.68 149.49 22.76 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.525 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -42.73 -31.07 0.43 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.647 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.512 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 1.9 m-20 -72.41 -45.54 59.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -52.25 -31.26 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.917 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 3.4 m120 -71.86 -38.47 70.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -52.91 -49.82 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.21 -37.74 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' A' ' 46' ' ' GLU . 22.9 tpt180 -63.45 -27.76 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 110.929 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLU . 23.1 m-20 -61.67 -5.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 44' ' ' ARG . 5.8 pt-20 35.86 98.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.829 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -70.42 -71.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 49' ' ' THR . 3.3 p30 -161.6 -141.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.604 ' HG1' ' HE3' ' A' ' 51' ' ' MET . 11.3 p -44.41 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.93 -34.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.604 ' HE3' ' HG1' ' A' ' 49' ' ' THR . 0.7 OUTLIER -49.24 -40.81 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -79.74 -49.83 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.221 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.32 -32.57 56.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.948 0.404 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' ILE . . . -80.04 -42.12 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -56.51 -42.58 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' N ' ' A' ' 57' ' ' LEU . 28.5 m -77.01 -45.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.174 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HG21 ' A' ' 56' ' ' VAL . 12.3 tp -54.71 -51.08 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 54' ' ' ALA . 17.9 tt -68.05 -27.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.244 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -71.63 -46.68 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -55.59 -50.27 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -48.61 -57.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -50.6 -42.32 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -53.27 -41.4 61.95 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.437 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 26.2 mmtm -75.32 27.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 76.08 166.9 22.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 97.9 Cg_endo -73.28 -14.52 25.53 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 111.698 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -59.66 -23.23 62.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.932 ' HG ' HG22 ' A' ' 34' ' ' VAL . 21.0 t -79.03 -33.9 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.827 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 8.7 p -43.11 -33.94 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.01 -58.98 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -63.9 -25.54 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.83 -58.93 3.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 50.4 mt -61.06 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -59.91 -52.9 63.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.577 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.109 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 7.0 m-70 -60.75 -59.85 4.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 0.0 110.988 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.8 tp -40.97 -31.01 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 83.0 m -73.56 -38.3 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.452 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -72.97 -11.12 60.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -115.05 -44.72 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 120.772 0.32 . . . . 0.0 111.087 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -116.73 92.57 38.48 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 123.278 0.631 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -83.86 -11.53 8.92 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.796 1.664 . . . . 0.0 112.227 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.511 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.97 -41.02 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.435 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB2' ' HG ' ' A' ' 77' ' ' CYS . . . -61.54 -17.56 55.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 p -54.55 -30.92 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.78 -38.44 15.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.7 mmm . . . . . 0 N--CA 1.468 0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.3 mm? -46.22 -56.87 5.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.885 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.45 -59.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.521 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -64.94 -43.82 91.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.399 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.92 6.39 11.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.69 ' NH2' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.86 -38.7 73.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.77 -29.89 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.338 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.79 -68.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -47.97 -53.29 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.393 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.563 HG21 ' N ' ' A' ' 15' ' ' HIS . 4.4 tt -51.52 -49.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.563 ' N ' HG21 ' A' ' 14' ' ' ILE . 41.6 m80 -91.83 57.7 3.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.493 0.317 . . . . 0.0 111.079 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -170.51 -57.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.54 131.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 154.31 26.39 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.171 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -26.92 13.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.34 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.04 -61.18 2.91 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.602 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 m -42.46 -38.8 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD12 HG11 ' A' ' 50' ' ' VAL . 69.9 mt -51.9 -60.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.759 0.314 . . . . 0.0 110.949 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -51.31 -38.8 54.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 -27.72 53.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.375 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -73.94 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.527 -179.25 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 27' ' ' ASP . 3.2 pp -57.8 -36.23 71.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 0.0 110.663 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD13 ' A' ' 26' ' ' LEU . 10.1 t70 -57.07 -44.03 82.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 1.101 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.85 -33.98 77.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.76 -34.99 76.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.79 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.74 -40.06 84.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.4 . . . . 0.0 110.17 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.35 -37.71 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.508 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 8.6 m-20 -75.68 -21.87 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 69.28 28.7 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -75.78 -40.64 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 pt -89.27 -168.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.308 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -146.66 161.92 39.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 11.6 tp60 -45.61 -25.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.517 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.25 -58.56 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.601 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.88 -48.45 71.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 tpt -45.64 -35.65 4.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.586 ' N ' HD21 ' A' ' 41' ' ' ASN . 1.4 m120 -72.12 -36.28 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.035 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 2.2 tmtp? -53.01 -49.03 67.03 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.09 -38.49 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.0 tpt85 -62.45 -29.64 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.03 0.443 . . . . 0.0 110.813 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.0 p-10 -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.614 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 29.4 mt-10 49.96 94.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -75.48 -63.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.991 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -159.66 -141.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -50.08 179.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.34 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.509 HG11 HD12 ' A' ' 22' ' ' ILE . 38.6 t -60.56 -44.21 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -41.79 -39.29 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.417 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -81.89 -48.91 10.94 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.261 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HZ3' ' HG2' ' A' ' 46' ' ' GLU . 55.7 mttm -54.26 -31.89 54.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.95 -50.51 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.69 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 39.6 tpt85 -42.46 -48.74 5.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG21 ' N ' ' A' ' 57' ' ' LEU . 13.2 m -74.46 -47.21 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.608 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' N ' HG21 ' A' ' 56' ' ' VAL . 8.7 tp -49.28 -55.86 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 111.328 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.0 tt -62.87 -30.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.88 -46.04 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.534 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.49 -51.0 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 72' ' ' PHE . 68.1 t -46.06 -55.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -57.94 -48.88 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -43.6 -44.29 6.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -77.2 30.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.86 162.23 24.85 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.284 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 Cg_endo -74.98 -13.96 21.31 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.706 2.271 . . . . 0.0 111.773 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -57.03 -22.01 35.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.191 0.52 . . . . 0.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.859 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.0 t -78.04 -32.37 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 10.3 p -46.04 -51.73 13.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.572 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 86.2 m -46.42 -50.62 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 56.8 mttm -71.56 -23.39 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 61' ' ' VAL . 52.5 t80 -73.55 -52.4 13.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.038 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 65.0 mt -62.21 -29.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.375 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -75.95 -54.59 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 1.101 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 23.5 m-70 -57.17 -27.37 61.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.44 . . . . 0.0 110.516 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.16 -32.49 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 91.8 m -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.322 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -80.38 -28.0 38.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.928 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -53.64 6.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 111.586 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -131.11 77.29 75.1 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 122.828 0.451 . . . . 0.0 111.255 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.94 -29.53 35.75 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.699 2.266 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.81 -29.29 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 0.0 110.132 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -10.99 8.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 p -69.04 -49.71 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -80.35 11.39 3.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.15 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.41 ' HE3' ' HB3' ' A' ' 87' ' ' MET . 18.1 mtp . . . . . 0 N--CA 1.469 0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.78 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.66 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -44.48 -52.74 7.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -61.02 0.69 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -69.91 -40.33 75.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.51 22.66 1.03 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' ILE . 41.4 ttp180 -75.55 -45.5 37.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -68.54 -27.44 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.28 -68.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.447 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -49.93 -56.85 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 111.277 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 15' ' ' HIS . 5.2 tt -46.98 -50.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.455 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG21 ' A' ' 14' ' ' ILE . 32.5 m170 -91.86 55.17 2.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.436 0.295 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -168.19 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 111.335 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -39.57 124.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.821 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.71 23.98 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -42.66 -28.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.28 -63.22 2.42 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.73 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 m -42.58 -35.39 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.662 0.268 . . . . 0.0 111.335 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD12 HG11 ' A' ' 50' ' ' VAL . 93.4 mt -53.3 -60.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -53.72 -37.97 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.403 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.93 -27.3 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 111.428 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.496 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.09 -58.88 3.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.98 -27.62 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.91 -46.95 85.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.331 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.999 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -63.12 -41.97 99.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.9 mt -51.88 -45.32 64.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.563 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.0 -41.83 79.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -50.3 -40.87 49.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.56 -16.6 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 66.68 32.85 6.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.823 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.6 p -77.15 -45.75 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.219 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 pt -88.99 155.69 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.956 0.407 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 p -101.1 159.36 15.29 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.234 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.727 HE22 HD22 ' A' ' 41' ' ' ASN . 0.6 OUTLIER -47.9 -27.23 2.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.45 -51.27 37.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.503 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 44.8 m-20 -65.9 -38.25 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 110.137 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.56 -29.48 62.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.676 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.727 HD22 HE22 ' A' ' 37' ' ' GLN . 8.9 m120 -72.46 -42.08 65.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.04 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HZ3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -48.27 -49.45 33.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 t -73.66 -52.77 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.35 -12.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.934 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -13.91 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 44.56 64.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -50.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.517 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 3.8 m-20 -159.55 -141.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.7 p -55.93 163.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.686 HG11 HD12 ' A' ' 22' ' ' ILE . 54.6 t -45.28 -32.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -53.54 -40.02 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.916 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.34 -42.91 16.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 39.0 mttp -59.32 -37.3 77.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.43 -37.97 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.542 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.4 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.43 -39.22 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.871 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 111.513 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 59' ' ' ASP . 17.6 tt -56.84 -41.95 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.718 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 58' ' ' ILE . 8.8 t70 -61.87 -60.24 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.96 -46.42 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.4 -65.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 m -44.61 -49.97 9.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.238 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -42.99 -41.22 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.662 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 42.7 mmtm -77.29 28.44 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.6 172.2 40.65 Favored Glycine 0 C--N 1.329 0.158 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.664 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.1 Cg_endo -77.18 -13.99 16.84 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.888 2.392 . . . . 0.0 112.214 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -59.08 -25.76 64.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.823 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.9 t -81.21 -30.19 34.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.8 p -53.29 -49.68 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.201 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 15.5 t -41.99 -45.96 3.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.405 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -76.41 -27.32 56.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.65 -53.37 19.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.355 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.41 -35.48 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -73.66 -66.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.999 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.999 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 12.0 m-70 -43.62 -27.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.077 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 tp -76.18 -55.71 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -41.86 -32.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.523 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.11 -45.76 19.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.62 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -71.14 -53.85 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.642 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.41 97.19 48.98 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.265 0.626 . . . . 0.0 111.0 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -83.18 -13.05 9.11 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.691 1.594 . . . . 0.0 111.928 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -58.59 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.308 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' SER . 2.9 tp -64.85 -47.67 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.627 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.52 -11.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.722 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.3 t -57.28 -39.4 75.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.018 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -80.13 -33.61 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.974 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 N--CA 1.468 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.549 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 14.8 p-10 -162.65 84.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -154.74 44.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.144 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD12 HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -54.89 -59.53 4.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -48.17 -56.31 8.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.03 -69.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.558 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -57.37 -42.54 82.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.675 ' HD2' HD13 ' A' ' 12' ' ' ILE . 54.9 mmtt -87.91 24.99 1.64 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.112 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.2 ttp180 -76.38 -31.8 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.682 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -76.75 -27.96 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.388 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.675 HD13 ' HD2' ' A' ' 9' ' ' LYS . 49.0 mt -75.7 -70.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -47.37 -45.91 25.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.789 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.1 tt -62.22 -50.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' N ' HG21 ' A' ' 14' ' ' ILE . 41.2 m80 -89.2 52.82 2.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.69 0.281 . . . . 0.0 111.312 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 38.5 m -171.13 -53.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.332 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.2 p -41.64 123.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.5 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 144.2 25.71 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.355 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.95 -22.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.97 -62.7 2.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -45.43 -37.82 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.5 0.19 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.15 -50.53 54.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.171 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -40.67 85.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.89 0.376 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.43 56.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.48 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.94 -57.95 3.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.322 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.36 -31.99 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -63.65 -43.52 96.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.02 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 7.6 t -63.53 -42.05 98.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.637 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -55.86 -43.66 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.436 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.52 -43.99 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -76.67 -19.63 57.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 67.58 28.77 7.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.908 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.5 p -69.86 -39.01 77.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.052 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.83 -169.32 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -138.97 156.95 46.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.789 0.436 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 9.0 tp-100 -45.97 -26.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.21 -52.32 24.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.7 -48.43 66.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpt -47.45 -33.91 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 41' ' ' ASN . 2.1 m120 -72.67 -36.04 67.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -51.85 -52.7 47.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 t -69.9 -45.25 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.644 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -52.97 -31.79 42.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.582 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.96 -26.68 6.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 51.45 98.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -76.09 -71.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 49' ' ' THR . 25.0 t0 -160.66 -141.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.543 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 88.7 m -42.84 158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.508 ' N ' HG22 ' A' ' 49' ' ' THR . 42.8 t -46.87 -41.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.758 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtp -45.49 -33.95 2.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.825 0.345 . . . . 0.0 111.02 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.72 -50.72 7.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.498 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.66 ' CB ' ' HZ3' ' A' ' 53' ' ' LYS . 9.2 mtmp? -60.62 -24.13 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.461 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.45 -55.32 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -44.55 -40.29 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 57' ' ' LEU . 35.0 m -75.4 -41.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.534 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.9 tp -63.02 -50.73 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 tt -62.35 -35.79 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.404 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -71.26 -59.52 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.59 -41.68 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 57' ' ' LEU . 74.4 t -60.62 -68.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.668 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -43.84 -35.75 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -54.41 -39.09 64.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -75.98 27.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.91 172.62 39.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.406 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.05 -10.66 23.0 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.829 2.353 . . . . 0.0 111.875 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HZ3' ' HG3' ' A' ' 67' ' ' LYS . 2.5 tmtp? -61.34 -29.45 69.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.908 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.5 t -79.18 -41.49 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.2 p -42.42 -35.4 1.02 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.194 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 m -57.44 -65.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -56.62 -32.32 65.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 74.7 mt -54.26 -34.15 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.456 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.96 -58.99 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.02 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 4.3 m-70 -55.2 -39.1 69.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.12 -38.68 92.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 97.6 m -56.99 -45.47 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.573 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.16 -25.73 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.745 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -81.48 -33.06 32.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.472 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -150.31 103.76 3.12 Favored Pre-proline 0 N--CA 1.471 0.578 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.913 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.58 -14.88 10.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.423 1.416 . . . . 0.0 111.874 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -65.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.358 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' C ' ' H ' ' A' ' 85' ' ' SER . 18.2 tp -61.39 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.072 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -56.06 -6.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.9 t -66.1 -45.06 82.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.304 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -79.77 3.26 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.359 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.528 ' O ' HD23 ' A' ' 89' ' ' LEU . 41.6 mmm -135.23 10.19 3.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.235 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -93.48 39.5 2.94 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.686 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.609 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.5 -33.57 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.953 0.501 . . . . 0.0 111.953 -179.27 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 20.3 p-10 -160.79 81.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 29.2 mm100 -151.55 32.5 0.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.66 -45.33 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.2 mm? -56.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt-85 -39.33 -53.11 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.635 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -65.36 -49.84 67.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -84.13 17.2 2.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.4 ttp85 -66.87 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -77.44 -29.29 52.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.4 mt -75.96 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.979 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -57.77 -56.03 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.282 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.557 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.6 tt -48.39 -49.95 12.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.341 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.557 ' N ' HG21 ' A' ' 14' ' ' ILE . 39.8 m80 -92.34 55.65 2.59 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -167.26 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 0.0 111.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.8 p -42.29 122.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.25 142.97 22.56 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.578 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -39.72 -28.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 0.0 111.692 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -75.72 -62.19 2.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.757 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -45.48 -34.71 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD12 HG11 ' A' ' 50' ' ' VAL . 88.8 mt -53.63 -52.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.718 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -61.52 -40.15 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.489 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -26.75 60.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' C ' ' A' ' 25' ' ' LEU . 2.2 tm? -74.2 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.23 -31.27 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.87 -48.45 80.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.929 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -59.77 -42.84 94.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.33 -44.5 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 35.2 mt -60.69 -41.03 94.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.52 -42.13 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.002 0.43 . . . . 0.0 110.148 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 4.5 m-20 -82.31 -17.9 44.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.348 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.7 mt-10 65.33 38.58 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -78.21 -40.31 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.228 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -89.05 155.39 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.865 0.364 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' ASP . 55.2 m -95.09 145.83 24.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.69 ' NE2' HD22 ' A' ' 41' ' ' ASN . 14.0 tm0? -41.2 -33.24 0.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.928 0.394 . . . . 0.0 111.055 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.299 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.5 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -66.84 -50.03 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 ttt -47.91 -33.6 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.459 . . . . 0.0 109.783 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.69 HD22 ' NE2' ' A' ' 37' ' ' GLN . 2.2 m120 -69.8 -36.28 75.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.504 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.11 -46.48 68.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.922 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 tpt85 -58.25 -11.03 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.046 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.49 -19.35 47.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 52.41 80.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -74.8 -62.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.552 ' CG ' ' H ' ' A' ' 49' ' ' THR . 16.6 t70 -160.71 -140.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.552 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 41.2 p -60.3 175.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.418 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG11 HD12 ' A' ' 22' ' ' ILE . 49.5 t -52.25 -32.46 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.45 -43.66 55.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.29 . . . . 0.0 111.191 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.6 -43.05 21.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 42.5 mttp -58.73 -36.34 74.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.244 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.61 -44.99 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -50.88 -43.56 59.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG21 ' N ' ' A' ' 57' ' ' LEU . 33.8 m -78.17 -46.58 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.511 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.7 tp -52.82 -52.28 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.047 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 tt -65.05 -32.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.44 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.28 -51.61 43.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.411 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.13 -49.79 50.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.001 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.3 t -49.97 -59.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -56.87 -28.21 61.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -64.71 -39.85 96.99 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 27.4 mmtm -77.27 28.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.755 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.8 170.98 39.12 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.9 Cg_endo -75.06 -10.82 21.28 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.801 2.334 . . . . 0.0 111.92 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -29.24 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.859 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.4 t -77.16 -36.28 55.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.333 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -44.34 -45.15 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.39 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.482 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m -54.42 -54.86 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 53.4 mtmt -69.18 -19.11 63.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.388 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -75.34 -53.2 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.14 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 55.0 mt -61.33 -37.25 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.428 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -67.26 -48.56 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.307 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.929 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 2.5 m-70 -64.52 -46.95 80.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.38 -33.79 68.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 84.3 m -61.57 -52.52 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.513 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.604 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -90.83 -30.69 16.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.806 0.336 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -150.15 99.16 3.26 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 -14.76 9.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.466 1.444 . . . . 0.0 111.992 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -71.92 -62.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.8 -48.6 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.94 -14.87 0.64 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -54.11 -35.3 62.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.517 . . . . 0.0 109.728 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 1.8 mptp? -86.79 -35.98 18.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.158 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.0 mtp -93.01 17.94 9.97 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.622 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -112.01 48.23 0.96 Allowed Glycine 0 N--CA 1.468 0.795 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.971 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.47 -35.45 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.77 0.428 . . . . 0.0 111.831 -179.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.744 0.307 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -163.31 79.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -150.75 42.4 0.79 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -41.73 -56.28 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.5 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -52.78 -60.84 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -64.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.753 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.37 -41.3 96.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -85.1 12.55 7.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.88 -48.51 81.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -59.83 -26.22 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.54 -72.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.514 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -45.27 -53.58 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.486 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.544 HG21 ' N ' ' A' ' 15' ' ' HIS . 8.2 tt -51.6 -50.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.576 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' N ' HG21 ' A' ' 14' ' ' ILE . 40.2 m80 -97.17 52.96 1.16 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.61 0.364 . . . . 0.0 111.028 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.1 m -167.63 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.4 p -42.05 126.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.475 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.01 140.66 20.98 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.74 -27.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.383 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -62.38 3.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.691 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.7 m -44.39 -36.32 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.564 0.221 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG22 ' NZ ' ' A' ' 53' ' ' LYS . 74.1 mt -55.02 -48.37 75.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.68 -39.74 92.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.875 0.369 . . . . 0.0 111.195 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 -26.58 55.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.526 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -75.31 -57.79 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.419 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.14 -35.95 70.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.754 0.311 . . . . 0.0 110.744 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.3 -44.56 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.053 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -62.32 -43.22 99.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -49.39 -47.08 48.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.8 mt -57.39 -43.36 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.381 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.63 -45.42 13.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.721 ' HB3' ' HZ1' ' A' ' 71' ' ' LYS . 10.1 m-20 -79.03 -19.29 51.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LEU . 9.7 mt-10 66.14 34.22 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.864 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -75.38 -40.59 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.9 pt -89.14 156.24 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.316 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.2 t -99.7 153.75 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.527 HE21 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -46.49 -27.36 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.199 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.527 ' N ' HE21 ' A' ' 37' ' ' GLN . 73.9 mm-40 -70.14 -39.25 75.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.17 0.51 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD2' HD23 ' A' ' 60' ' ' LEU . 1.2 m-20 -73.92 -55.13 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.991 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -48.01 -29.45 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.101 0.477 . . . . 0.0 109.891 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 1.7 m120 -72.23 -39.33 68.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -55.57 -50.34 70.31 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -70.47 -46.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -59.53 -21.85 60.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 110.651 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.3 -17.88 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 53.8 93.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.8 -59.24 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.3 t70 -162.23 -140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.512 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 9.3 t -62.06 -175.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.354 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 49' ' ' THR . 51.7 t -58.99 -33.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.167 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -56.89 -39.03 73.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.57 -36.28 22.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.666 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.725 ' HZ1' ' HB3' ' A' ' 53' ' ' LYS . 6.9 mtpm? -69.81 -35.36 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 -38.94 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -55.69 -41.2 73.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.023 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.71 -42.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.513 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' HG21 ' A' ' 61' ' ' VAL . 11.1 tp -60.96 -48.34 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.215 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.75 -34.62 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.455 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.49 -56.3 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.434 HD23 ' OD2' ' A' ' 39' ' ' ASP . 16.1 mt -43.31 -50.94 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 57' ' ' LEU . 86.7 t -51.81 -59.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 m -56.78 -17.82 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -71.2 -38.16 63.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -77.31 29.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.44 171.39 41.33 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 Cg_endo -73.57 -2.39 12.1 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.792 2.328 . . . . 0.0 111.9 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -28.65 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.24 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.864 ' HG ' HG22 ' A' ' 34' ' ' VAL . 5.9 t -81.35 -32.52 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 2.7 p -47.73 -35.93 10.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.04 -71.77 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.721 ' HZ1' ' HB3' ' A' ' 32' ' ' ASP . 30.5 mtpt -48.1 -26.53 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.174 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.54 -42.42 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.425 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 81.7 mt -68.63 -35.14 68.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.137 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' A' ' 74' ' ' LYS . 1.2 mptm? -75.0 -42.76 56.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.79 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.053 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 5.0 m-70 -65.1 -39.5 93.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.96 -30.89 70.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 72.5 m -61.18 -52.73 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.536 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.07 -19.77 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.811 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -87.36 -37.74 16.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -150.6 77.35 7.98 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-O 120.683 0.278 . . . . 0.0 111.385 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.21 -23.02 12.28 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.662 2.241 . . . . 0.0 112.251 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -74.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.79 -35.65 61.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -57.19 -11.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.398 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 t -64.32 -48.62 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.101 0.476 . . . . 0.0 110.122 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 6.27 27.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 87' ' ' MET . 14.7 mtp -145.52 34.97 1.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.591 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -154.98 61.71 0.36 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.652 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -36.26 -37.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.638 0.375 . . . . 0.0 111.592 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.947 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 16.4 p30 -163.63 82.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 17.3 mm100 -152.79 41.73 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.16 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD12 HD22 ' A' ' 89' ' ' LEU . 8.7 tt -56.06 -64.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -44.86 -56.52 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -35.75 -63.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.123 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.467 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -88.4 23.75 2.11 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.97 -29.99 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -75.46 -27.82 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.199 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.18 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.461 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -50.84 -56.88 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.292 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG21 ' N ' ' A' ' 15' ' ' HIS . 15.4 tt -47.85 -51.53 8.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.277 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.594 ' N ' HG21 ' A' ' 14' ' ' ILE . 40.1 m80 -92.48 52.04 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -164.65 -55.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.1 p -42.87 123.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.89 142.21 21.44 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.585 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -39.64 -33.84 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.743 0.306 . . . . 0.0 111.732 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -63.17 3.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -45.19 -42.13 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.315 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.666 HD12 HG11 ' A' ' 50' ' ' VAL . 85.6 mt -45.97 -51.88 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.698 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -60.31 -42.54 95.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.438 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.19 -23.34 59.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.733 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.512 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -77.51 -59.21 2.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.57 -31.88 62.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -61.65 -50.33 72.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.48 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 6.3 p -56.84 -39.89 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 64.1 mt -51.9 -47.47 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.97 -43.7 73.72 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -48.02 -42.0 27.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -77.08 -18.66 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.9 33.22 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.791 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.4 p -75.8 -43.79 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.941 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.83 -169.21 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.446 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' GLU . 15.8 m -144.0 151.01 39.15 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.749 0.419 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.667 ' NE2' HD22 ' A' ' 41' ' ' ASN . 13.9 tm0? -36.93 -28.31 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.758 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' SER . 80.0 mm-40 -69.67 -54.4 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -66.33 -46.46 76.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.244 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.537 ' HE2' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -48.42 -33.96 10.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.13 179.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.667 HD22 ' NE2' ' A' ' 37' ' ' GLN . 2.8 m120 -70.64 -38.47 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -48.26 -48.94 35.11 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.934 0.397 . . . . 0.0 110.174 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 ' C ' ' H ' ' A' ' 45' ' ' ASP . 6.4 t -74.69 -49.48 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.094 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.537 ' HG3' ' HE2' ' A' ' 40' ' ' MET . 0.1 OUTLIER -64.38 -3.8 3.28 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 43' ' ' VAL . 16.8 t70 -68.47 -11.55 59.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 57.19 76.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -69.19 -78.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.97 -140.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.494 HG22 ' N ' ' A' ' 50' ' ' VAL . 23.9 m -53.67 159.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 22' ' ' ILE . 55.8 t -45.97 -25.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.2 -39.49 90.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.53 -36.79 21.93 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.661 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.674 ' CB ' ' HZ3' ' A' ' 53' ' ' LYS . 8.0 mtmp? -73.03 -34.34 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.1 -34.46 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 73.7 ttt-85 -61.79 -38.64 88.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -78.33 -42.66 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.67 -51.45 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 111.198 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.4 tt -64.4 -36.19 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.521 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.98 -56.69 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.519 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.43 -49.02 36.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.276 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.3 -59.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.178 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -57.96 -18.38 23.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.363 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -76.8 -36.3 37.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.66 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -79.93 31.25 0.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 82.85 167.94 41.91 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.798 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.2 Cg_endo -75.99 -16.09 18.26 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.964 2.443 . . . . 0.0 112.14 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.725 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 7.1 ttpm? -58.49 -23.8 58.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.791 ' HG ' HG22 ' A' ' 34' ' ' VAL . 5.9 t -79.4 -37.1 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.988 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.9 p -46.89 -45.98 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 98.8 m -52.3 -60.21 3.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.29 -34.18 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -61.91 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.488 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 42.7 mt -57.82 -31.03 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 111.242 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' CYS . 91.2 mttt -73.23 -67.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.337 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 80.4 m-70 -44.14 -30.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.51 -35.08 63.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 89.9 m -57.83 -45.27 86.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.635 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.57 -25.56 41.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.975 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -82.88 -30.99 28.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -150.08 101.02 3.2 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.88 -11.28 11.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.366 1.378 . . . . 0.0 111.851 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -76.19 -64.37 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' A' ' 85' ' ' SER . 5.9 tp -63.69 -46.88 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 109.773 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -49.76 -12.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.543 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 83' ' ' LEU . 18.2 t -65.2 -45.4 84.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.989 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.63 12.94 2.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' HD23 ' A' ' 89' ' ' LEU . 19.8 mtp -147.26 11.8 1.04 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.77 37.9 3.29 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.948 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.673 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.12 -35.21 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.847 0.459 . . . . 0.0 111.783 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.47 ' HD1' ' C ' ' A' ' 90' ' ' HIS . 2.6 t-80 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.823 0.344 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 1.4 p30 -163.5 82.18 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.98 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 96.2 mm-40 -154.51 39.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.985 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.65 -68.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.238 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -42.49 -53.48 4.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 111.061 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -57.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.0 -40.05 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.388 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.91 15.19 3.48 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.3 ttp85 -66.19 -39.41 89.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.37 -26.05 58.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.13 -69.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.185 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -48.44 -54.24 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.311 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.9 tt -51.16 -50.05 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.497 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG21 ' A' ' 14' ' ' ILE . 32.8 m170 -91.28 53.04 2.22 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.496 0.318 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -170.3 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.307 . . . . 0.0 111.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.8 p -56.57 124.26 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.394 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.17 145.84 23.5 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.577 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 -30.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.25 -63.97 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -42.12 -36.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.577 0.227 . . . . 0.0 111.417 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 HD12 HG11 ' A' ' 50' ' ' VAL . 78.2 mt -53.74 -56.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.003 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -54.96 -40.13 69.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.785 0.326 . . . . 0.0 111.312 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . . . -75.8 -27.37 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.578 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.18 -58.07 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.257 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.26 -28.56 65.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.0 0.428 . . . . 0.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.75 -48.47 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.336 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.096 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 5.8 t -59.99 -44.19 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -47.54 -47.94 27.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.89 -45.28 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.31 -38.57 28.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.79 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.68 -19.7 54.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 66.04 31.15 9.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.838 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -75.75 -41.8 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.32 -168.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 m -145.92 159.23 43.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.939 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 18.0 tp60 -43.29 -27.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.98 -52.37 29.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.29 -51.37 37.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.32 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.5 tpt -46.14 -31.18 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.534 ' N ' HD21 ' A' ' 41' ' ' ASN . 1.2 m120 -75.08 -39.53 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -51.99 -48.05 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.053 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.17 -49.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.475 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -16.7 36.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -62.73 -17.34 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 56.25 88.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -75.96 -61.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -160.15 -141.54 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 50' ' ' VAL . 24.7 m -65.79 167.65 9.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.59 ' N ' HG22 ' A' ' 49' ' ' THR . 53.7 t -42.39 -46.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -43.77 -38.11 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.168 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -84.13 -45.65 12.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.693 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -63.37 -23.4 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.75 0.31 . . . . 0.0 111.434 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.07 -54.97 4.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -44.73 -40.63 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 57' ' ' LEU . 26.1 m -76.53 -40.63 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.491 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' N ' HG21 ' A' ' 56' ' ' VAL . 11.2 tp -61.48 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -68.74 -27.21 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.428 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.94 -43.9 28.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.66 -42.28 83.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.4 -57.2 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -55.39 -12.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.17 -47.89 68.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.585 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 1.6 mptp? -76.38 28.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 110.776 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.1 177.81 48.31 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.624 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 90.0 Cg_endo -74.15 -5.14 16.52 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.81 2.34 . . . . 0.0 111.949 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.31 -42.81 99.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.329 0.585 . . . . 0.0 109.519 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.838 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.4 t -64.53 -36.05 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.388 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 1.2 p -42.07 -37.95 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.4 m -54.49 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 59.7 mmtt -58.84 -27.78 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -70.58 -54.0 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.316 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 66.5 mt -61.02 -41.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.49 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -68.21 -56.61 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.096 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 6.5 m-70 -54.1 -29.9 46.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.5 tp -74.21 -32.87 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 70.0 m -58.7 -47.46 84.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.673 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.2 pp20? -77.37 -23.9 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 24' ' ' ALA . 60.0 mm-40 -83.16 -34.58 25.96 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -146.2 105.39 4.11 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.954 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.05 -17.14 9.53 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 121.354 1.37 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.577 ' NE2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -73.68 -72.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' N ' ' NE2' ' A' ' 82' ' ' GLN . 13.2 tp -53.01 -41.94 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 109.971 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -51.52 -9.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.825 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 83' ' ' LEU . 41.9 t -65.96 -48.15 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.924 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -81.67 13.47 3.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.037 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.6 mtp -145.59 11.83 1.29 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -100.23 43.07 1.83 Allowed Glycine 0 C--N 1.34 0.771 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.782 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.653 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.26 -34.38 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.969 0.508 . . . . 0.0 111.905 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' GLY . 31.4 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.788 0.327 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -161.57 85.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -155.51 34.26 0.37 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.391 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -53.87 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.703 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.0 mm? -41.68 -33.47 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.253 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.27 -62.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -72.27 10.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.269 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 7' ' ' ARG . 20.6 mmmt -139.42 11.64 2.54 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.756 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.618 ' NH2' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -67.4 -29.73 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.202 179.411 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -76.34 -32.4 58.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.69 -60.64 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.295 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.33 -57.94 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 111.016 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.603 HG21 ' N ' ' A' ' 15' ' ' HIS . 18.7 tt -49.48 -50.73 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.384 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.603 ' N ' HG21 ' A' ' 14' ' ' ILE . 38.2 m80 -88.76 54.78 3.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -170.21 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 111.24 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.7 p -40.43 124.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.535 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.18 146.66 24.03 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.19 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.95 -60.36 2.94 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.611 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.0 m -43.84 -35.83 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.6 0.238 . . . . 0.0 111.374 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.524 HD12 HG11 ' A' ' 50' ' ' VAL . 74.6 mt -53.9 -60.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.047 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.89 -38.24 61.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.5 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -28.36 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.542 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.2 -58.15 3.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.258 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.94 -28.1 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.759 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -63.63 -46.11 87.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.28 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.903 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 11.2 t -63.59 -42.57 98.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.885 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.3 mt -49.34 -49.1 45.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.613 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.8 mt -55.39 -43.59 75.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.394 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -46.65 -42.45 16.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.08 -18.59 49.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' LEU . 28.2 mt-10 65.84 35.19 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.887 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.1 p -75.48 -42.23 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 pt -88.93 156.75 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.77 0.319 . . . . 0.0 110.2 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' ASP . 14.6 p -96.23 150.28 20.71 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.978 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.685 ' NE2' HD22 ' A' ' 41' ' ' ASN . 16.5 tm0? -46.53 -23.08 0.34 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.17 -42.58 55.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' SER . 14.3 m-20 -71.65 -46.02 60.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.7 tpt -51.02 -35.2 32.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.702 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.685 HD22 ' NE2' ' A' ' 37' ' ' GLN . 1.9 m120 -68.61 -36.95 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.551 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.47 -49.38 61.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.31 -38.92 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -72.0 -10.39 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.26 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.49 -10.79 54.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 54.19 89.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.207 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -78.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 49' ' ' THR . 29.4 t0 -161.73 -140.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.723 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.527 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 78.8 p -63.54 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG11 HD12 ' A' ' 22' ' ' ILE . 52.9 t -63.98 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -53.12 -34.39 56.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.996 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -87.31 -41.69 13.46 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 111.224 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.4 -53.17 7.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NE ' ' NH2' ' A' ' 10' ' ' ARG . 34.3 tpt85 -42.7 -45.18 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.228 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 57' ' ' LEU . 23.4 m -76.35 -39.7 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.752 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' N ' HG21 ' A' ' 56' ' ' VAL . 7.1 tp -58.16 -58.05 10.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.65 -34.41 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -67.61 -54.81 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.96 -55.12 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -45.8 -54.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -58.29 -28.05 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -69.45 -34.74 74.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 29.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.69 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 80.54 166.3 34.52 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.6 Cg_endo -74.11 -15.31 23.19 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.824 2.35 . . . . 0.0 111.925 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -58.79 -27.17 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.1 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.887 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.1 t -76.85 -39.98 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.986 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -43.72 -39.44 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.87 -64.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -51.65 -38.38 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -57.55 -56.06 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 68.1 mt -54.57 -32.87 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -74.88 -50.13 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.31 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.903 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 1.2 m-70 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.51 -37.94 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 68.3 m -60.7 -38.74 86.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.048 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -79.61 -26.96 41.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.562 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.09 -55.35 5.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.793 0.33 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.68 106.69 26.38 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.358 0.663 . . . . 0.0 110.503 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -81.09 -20.3 7.49 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.317 1.345 . . . . 0.0 112.094 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -66.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.4 tp -59.6 -43.18 93.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.311 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.42 -10.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 83' ' ' LEU . 38.4 t -61.2 -42.38 98.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -86.26 -18.29 32.47 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.41 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.411 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 17.7 mtp -116.3 27.17 9.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.205 0.602 . . . . 0.0 110.708 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -136.61 58.81 0.65 Allowed Glycine 0 N--CA 1.47 0.952 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.91 -36.45 0.08 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.615 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.854 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -165.3 80.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -147.33 49.29 1.1 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.571 ' CD1' HD22 ' A' ' 89' ' ' LEU . 9.4 tt -64.03 -51.56 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.593 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.1 mm? -52.14 -59.29 4.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 110.968 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -38.0 -57.08 1.08 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -67.86 -45.41 74.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.833 0.349 . . . . 0.0 111.2 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HD2' HD13 ' A' ' 12' ' ' ILE . 63.2 mmtt -81.86 13.96 2.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' HG23 ' A' ' 14' ' ' ILE . 23.9 ttp-105 -64.98 -36.93 85.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -78.02 -31.04 50.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 HD13 ' HD2' ' A' ' 9' ' ' LYS . 98.4 mt -75.33 -57.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.354 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.73 -57.8 10.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.599 HG21 ' N ' ' A' ' 15' ' ' HIS . 7.9 tt -47.26 -51.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.599 ' N ' HG21 ' A' ' 14' ' ' ILE . 36.8 m80 -89.39 53.92 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 m -167.85 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.208 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 17' ' ' VAL . 10.0 p -41.19 122.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.358 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.66 143.45 22.49 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.571 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -41.47 -24.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.735 0.303 . . . . 0.0 111.474 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.96 -62.13 2.41 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.775 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -45.47 -34.43 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 0.0 111.454 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD12 HG11 ' A' ' 50' ' ' VAL . 87.1 mt -53.69 -59.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -55.46 -37.26 67.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.37 -27.36 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 111.424 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD11 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -74.54 -59.2 2.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD11 ' HE2' ' A' ' 40' ' ' MET . 4.3 pp -59.76 -29.16 67.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -62.57 -44.35 96.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.788 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -64.83 -42.71 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.826 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -51.23 -46.47 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' GLU . 58.9 mt -56.71 -44.57 81.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.346 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -45.64 -45.84 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.727 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.4 -17.7 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.512 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' LEU . 14.1 mt-10 66.06 34.87 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.904 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -75.36 -41.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 pt -89.2 155.9 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.797 0.332 . . . . 0.0 110.378 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ASP . 62.3 m -96.78 150.94 20.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.777 HE21 HD22 ' A' ' 41' ' ' ASN . 60.9 tp60 -45.73 -32.3 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.23 -38.03 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' SER . 58.6 m-20 -73.58 -52.76 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.311 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.487 ' HE2' HD11 ' A' ' 26' ' ' LEU . 12.5 tpt -48.14 -31.14 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.0 109.881 179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.777 HD22 HE21 ' A' ' 37' ' ' GLN . 2.6 m120 -71.64 -39.82 70.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.578 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -48.32 37.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 t -70.72 -45.08 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.25 -0.97 27.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ASN . 17.6 t70 -64.9 -6.76 9.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.99 72.09 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -77.25 -75.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.74 -141.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -64.72 -168.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.651 HG11 HD12 ' A' ' 22' ' ' ILE . 55.5 t -64.74 -34.67 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -36.5 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.15 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -86.83 -40.41 14.95 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.667 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.743 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 10.3 mtmp? -68.61 -29.7 68.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 111.278 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.8 -54.11 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -43.0 -45.08 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG21 ' N ' ' A' ' 57' ' ' LEU . 19.9 m -72.81 -49.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.0 tp -46.77 -55.62 7.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.145 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.56 -29.28 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -68.63 -43.72 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -55.45 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.64 -53.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -35.71 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.307 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -59.34 -39.09 94.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 29.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.72 169.25 35.74 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.601 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.6 Cg_endo -74.82 -12.52 21.92 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.853 2.368 . . . . 0.0 111.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -59.62 -25.23 64.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.904 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.2 t -81.14 -28.26 35.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.3 p -54.15 -39.91 66.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 95.6 m -56.67 -65.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.4 mttt -57.52 -31.46 66.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.69 -51.37 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.484 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 62.8 mt -62.69 -34.48 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.346 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.09 -42.97 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.788 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 39.5 m-70 -69.26 -52.6 26.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.34 -33.61 13.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 78.9 m -63.31 -61.77 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.21 -2.55 2.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.558 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 77' ' ' CYS . 67.2 mm-40 -104.62 -37.45 7.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.713 0.405 . . . . 0.0 111.614 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -150.4 77.49 8.09 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-O 120.758 0.313 . . . . 0.0 111.496 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.97 -26.26 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -69.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.07 -36.29 83.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.56 . . . . 0.0 110.466 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -60.3 -18.01 46.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.442 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 p -57.39 -37.32 72.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.22 -31.08 23.37 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.067 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.0 mtp -102.34 26.03 8.26 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.329 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -127.31 56.08 0.73 Allowed Glycine 0 N--CA 1.469 0.895 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.947 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.43 -51.87 2.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.165 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.896 -179.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.55 95.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -150.05 65.86 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.23 -56.28 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -49.34 -59.25 3.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.687 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -55.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.319 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.5 -48.32 78.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -81.87 10.95 5.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.8 tmt_? -60.57 -37.49 81.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.74 -28.59 55.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -78.01 -68.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -46.06 -50.41 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.483 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG21 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -56.93 -49.52 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.571 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.569 ' N ' HG21 ' A' ' 14' ' ' ILE . 31.7 m170 -93.68 56.71 2.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.546 0.339 . . . . 0.0 111.182 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 36.6 m -172.09 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.281 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.1 133.45 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.599 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.66 151.72 21.06 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.92 -18.92 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.03 -62.67 2.3 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 m -47.24 -37.38 10.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.611 0.243 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD12 HG11 ' A' ' 50' ' ' VAL . 65.3 mt -53.0 -56.69 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.917 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -55.0 -40.55 70.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.769 0.318 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB2' ' OE2' ' A' ' 79' ' ' GLU . . . -75.36 -26.72 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.688 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.4 tm? -75.83 -58.2 3.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.87 -31.45 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.11 -43.88 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.225 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.111 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 10.2 t -62.36 -42.9 99.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.551 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -48.63 -45.48 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.93 -40.72 89.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.242 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.78 -45.61 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.407 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.771 ' HB3' ' HZ3' ' A' ' 71' ' ' LYS . 6.1 m-20 -80.89 -17.2 51.43 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.395 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 64.97 38.07 6.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.877 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -77.4 -39.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.103 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.742 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 17.4 pt -89.02 154.57 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' ASP . 64.6 m -97.93 149.75 22.07 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.369 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -41.86 -31.67 0.34 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.42 -41.82 79.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.396 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.672 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 1.1 m-20 -72.19 -43.02 65.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.237 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 ttt -55.81 -25.37 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -76.94 -39.88 49.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.048 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.748 ' HZ3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -50.59 -51.09 51.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.948 0.404 . . . . 0.0 109.996 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 45' ' ' ASP . 4.1 t -75.37 -52.58 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.689 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -55.22 -10.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.462 . . . . 0.0 111.021 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 43' ' ' VAL . 25.6 t70 -64.17 -16.17 61.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.697 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.65 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -73.68 -81.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 49' ' ' THR . 28.1 p30 -161.85 -138.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 10.6 p -40.38 165.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.613 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.418 HG11 HD12 ' A' ' 22' ' ' ILE . 41.1 t -61.27 -39.85 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpp? -44.81 -38.74 4.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.148 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.46 -49.46 10.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.501 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -56.8 -31.04 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.423 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -46.97 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.87 -37.94 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.749 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.53 -46.84 81.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.433 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.1 tt -69.37 -28.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.749 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -71.73 -43.93 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD23 ' OD2' ' A' ' 39' ' ' ASP . 12.0 mt -58.3 -48.81 79.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.57 -60.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -52.97 -42.15 65.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -52.58 -37.72 50.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.503 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.742 ' HZ1' ' HA ' ' A' ' 35' ' ' ILE . 18.1 mmtp -76.51 28.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.787 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.02 170.41 35.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.533 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.2 Cg_endo -74.86 -10.58 21.52 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.85 2.367 . . . . 0.0 112.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.877 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.2 t -80.52 -32.88 36.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.1 p -50.1 -46.38 53.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.518 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 36.6 t -53.63 -61.9 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.194 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.771 ' HZ3' ' HB3' ' A' ' 32' ' ' ASP . 51.2 mtmt -59.18 -36.44 75.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -58.13 -51.21 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 69.0 mt -61.76 -30.15 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.384 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -72.76 -47.14 49.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.111 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.1 m-70 -65.62 -40.7 92.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 tp -60.71 -32.89 72.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 88.3 m -62.82 -54.66 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.433 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.95 -13.0 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.741 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' OE2' ' HB2' ' A' ' 24' ' ' ALA . 52.4 mm-40 -93.1 -38.84 11.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.33 76.97 8.33 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 120.756 0.312 . . . . 0.0 111.432 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.98 -19.69 6.03 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.68 2.254 . . . . 0.0 112.077 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -69.45 -75.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.634 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.4 tp -53.7 -39.23 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.598 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.47 -9.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.811 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.5 t -65.94 -49.0 69.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.087 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -83.71 11.14 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.173 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.409 ' HE3' ' HB3' ' A' ' 87' ' ' MET . 17.1 mtp -146.03 19.32 1.43 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -123.4 52.99 0.76 Allowed Glycine 0 N--CA 1.472 1.042 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.992 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.11 -35.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 111.712 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.96 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 9.8 p-10 -161.61 83.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.033 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -146.45 62.45 1.22 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.896 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD11 ' C ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -65.49 -77.71 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.656 -179.27 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.5 mm? -45.51 -60.04 2.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 110.866 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.79 -55.56 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.861 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.74 -48.6 65.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.729 0.299 . . . . 0.0 111.353 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HE3' HD13 ' A' ' 12' ' ' ILE . 19.3 mmmt -87.78 24.06 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 48.3 ttt-85 -76.86 -52.56 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.003 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -45.36 -29.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.26 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 HD13 ' HE3' ' A' ' 9' ' ' LYS . 65.0 mt -78.63 -64.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.492 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -44.5 -53.3 7.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.586 HG21 ' N ' ' A' ' 15' ' ' HIS . 11.0 tt -56.34 -50.2 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.586 ' N ' HG21 ' A' ' 14' ' ' ILE . 45.6 m80 -88.62 52.28 2.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 m -170.29 -57.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.721 0.296 . . . . 0.0 111.419 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -37.15 130.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.884 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.36 149.63 22.08 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.681 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.45 10.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 111.395 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.96 -46.28 17.41 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.9 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -57.73 -35.84 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.577 0.227 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 HD12 HG11 ' A' ' 50' ' ' VAL . 72.5 mt -53.04 -61.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 110.981 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.22 -40.43 47.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.232 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.6 59.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.587 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.405 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.19 -27.16 65.44 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -67.68 -42.32 82.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.288 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.048 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.8 t -65.05 -42.98 93.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.719 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -50.93 -44.55 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.6 mt -57.94 -44.61 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.31 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -46.32 -44.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.37 -17.57 56.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.634 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 32.7 mt-10 64.76 34.34 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.915 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.8 p -75.37 -41.71 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.17 155.76 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.895 0.378 . . . . 0.0 110.354 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' ASP . 43.1 m -95.08 150.0 20.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 3.6 tp-100 -44.42 -31.67 1.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.19 -39.87 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 36.9 m-20 -70.05 -52.24 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.345 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.0 tpt -47.08 -33.96 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m120 -70.95 -36.91 72.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.739 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -51.65 -48.59 63.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.35 -52.33 27.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.017 0.437 . . . . 0.0 110.719 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -19.97 2.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.453 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 52.2 t0 -59.35 -15.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 47.35 80.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 11.8 p30 -70.23 -44.85 67.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.8 t70 -171.52 -139.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.519 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 67.3 p -66.75 -170.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.38 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.521 HG11 HD12 ' A' ' 22' ' ' ILE . 48.8 t -62.27 -51.62 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.062 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.466 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -42.9 -35.76 1.3 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.458 -179.499 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.62 -44.5 11.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.592 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.83 -21.95 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.208 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.38 -52.12 6.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -44.57 -41.54 6.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG21 ' N ' ' A' ' 57' ' ' LEU . 34.3 m -76.57 -46.24 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.484 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.2 tp -53.24 -55.34 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 tt -61.73 -31.54 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.33 -51.82 47.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.64 -44.21 62.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 72' ' ' PHE . 59.6 t -55.88 -64.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -51.77 -24.32 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.268 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.83 -41.94 93.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -78.48 30.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.899 0.381 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.53 171.22 41.25 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.685 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.4 Cg_endo -74.93 -14.13 21.4 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.871 2.381 . . . . 0.0 112.022 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 67' ' ' LYS . 17.4 ttpp -58.22 -24.93 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 110.434 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.915 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.6 t -81.8 -25.65 35.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 6.1 p -51.76 -45.14 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 20.4 m -54.95 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.5 mmtt -55.03 -31.16 60.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.494 ' CD2' HG22 ' A' ' 61' ' ' VAL . 59.1 t80 -70.23 -72.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.483 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 83.1 mt -43.75 -39.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 -60.99 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.048 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 6.6 m-70 -48.73 -28.65 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.1 tp -75.84 -31.87 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 56.1 m -60.09 -46.66 88.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.538 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.75 -25.24 53.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.681 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -83.61 -30.99 26.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.383 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -150.31 101.34 3.15 Favored Pre-proline 0 N--CA 1.47 0.537 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -82.11 -20.58 6.14 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.46 1.44 . . . . 0.0 111.969 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -68.62 -59.36 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.73 -52.62 56.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.2 -20.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 t -53.5 -35.63 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 109.771 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -84.22 -38.5 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.253 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.508 ' O ' HD23 ' A' ' 89' ' ' LEU . 27.6 mtp -88.61 15.46 8.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.52 37.55 3.37 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.1 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.623 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.57 -34.22 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.626 0.37 . . . . 0.0 111.714 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.4 m80 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.415 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 4.6 p-10 -163.44 88.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.495 ' HB2' ' HZ1' ' A' ' 8' ' ' LYS . 13.8 mm100 -152.6 56.33 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.515 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' CD1' HD22 ' A' ' 89' ' ' LEU . 9.1 tt -64.58 -56.54 13.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -50.98 -59.37 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -36.79 -65.02 0.31 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.95 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' HZ1' ' HB2' ' A' ' 4' ' ' GLN . 33.4 mttp -64.18 -41.9 96.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' HE1' ' A' ' 87' ' ' MET . 61.2 mmtt -81.0 11.72 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -65.53 -46.27 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.975 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -65.73 -30.78 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.334 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.21 -57.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.491 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.63 -51.54 69.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.311 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.552 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.8 tt -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.597 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG21 ' A' ' 14' ' ' ILE . 38.9 m80 -90.89 53.68 2.46 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.012 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -167.27 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -41.07 121.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.462 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.33 145.27 24.08 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.624 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.58 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -43.33 -22.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 111.37 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.49 -61.51 2.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.824 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -48.43 -35.77 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.295 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.688 HD12 HG11 ' A' ' 50' ' ' VAL . 89.1 mt -51.59 -61.85 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -51.0 -39.09 54.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.43 51.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 111.507 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.69 -58.76 3.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.343 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD11 ' HE2' ' A' ' 40' ' ' MET . 3.1 pp -59.26 -36.08 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.827 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD13 ' A' ' 26' ' ' LEU . 38.9 t70 -57.85 -45.06 86.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.104 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -62.57 -42.67 99.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -49.37 -44.9 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD13 HD12 ' A' ' 35' ' ' ILE . 7.6 mp -59.99 -42.51 94.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -46.7 -40.67 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.49 -19.82 45.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.4 mt-10 67.8 34.05 4.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.884 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.1 p -77.85 -46.29 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD12 HD13 ' A' ' 30' ' ' LEU . 11.3 pt -89.4 156.39 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.901 0.382 . . . . 0.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' ASP . 44.6 m -99.32 150.83 21.72 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.713 ' NE2' HD22 ' A' ' 41' ' ' ASN . 41.9 tp60 -42.18 -30.48 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.72 -44.8 69.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' SER . 19.0 m-20 -68.05 -46.78 70.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.963 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.471 ' HE2' HD11 ' A' ' 26' ' ' LEU . 8.2 tpt -49.91 -35.13 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.772 179.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.713 HD22 ' NE2' ' A' ' 37' ' ' GLN . 7.1 m120 -66.96 -39.11 87.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.663 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.03 -48.59 52.67 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.098 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.76 -50.79 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.842 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -11.08 4.22 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.698 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.66 -13.32 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 44.22 73.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -63.47 -72.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' A' ' 49' ' ' THR . 25.8 t0 -159.81 -141.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.529 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 7.6 m -45.96 158.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.688 HG11 HD12 ' A' ' 22' ' ' ILE . 50.7 t -47.25 -42.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -44.02 -32.79 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.83 -54.32 4.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 36.8 mttp -54.16 -32.53 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.04 32.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.372 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.1 -44.5 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 57' ' ' LEU . 24.5 m -77.06 -45.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.628 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' N ' HG21 ' A' ' 56' ' ' VAL . 10.5 tp -49.25 -57.75 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 111.27 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 tt -64.13 -32.83 58.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.455 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.3 -52.66 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -47.39 -55.83 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -58.83 -25.96 63.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.384 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -70.57 -39.12 68.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.603 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -78.8 30.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 110.754 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.85 167.22 34.69 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.665 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 Cg_endo -75.43 -15.66 19.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.958 2.439 . . . . 0.0 112.032 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HZ3' ' HG3' ' A' ' 67' ' ' LYS . 2.3 tmtp? -57.23 -25.81 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.536 . . . . 0.0 109.903 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.884 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.7 t -78.15 -25.99 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.911 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.5 p -54.16 -49.63 68.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.185 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.552 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 64.2 m -46.41 -53.26 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.64 -27.22 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.377 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.66 -38.75 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.492 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 73.8 mt -73.96 -33.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.29 -42.69 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.104 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 7.5 m-70 -66.96 -42.47 85.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.01 -30.93 71.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 74.9 m -62.2 -58.21 8.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.8 pp20? -66.82 -14.23 62.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.764 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.93 -49.76 6.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -138.12 78.48 34.34 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 122.7 0.4 . . . . 0.0 111.522 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.19 -23.91 10.5 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.586 2.191 . . . . 0.0 111.941 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.88 -73.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.91 -30.22 61.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 0.0 110.299 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -64.53 -13.14 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 p -62.85 -44.59 95.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.976 0.417 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -84.62 -14.81 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 17.4 mtp -119.1 28.63 8.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.204 0.601 . . . . 0.0 110.424 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -134.21 58.14 0.69 Allowed Glycine 0 N--CA 1.469 0.891 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.946 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.0 -44.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 111.348 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 m170 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.923 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 17.0 p-10 -163.93 83.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -153.71 43.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -44.12 -56.8 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.616 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.9 mm? -50.77 -59.78 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 111.071 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.94 -64.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.596 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -59.86 -42.76 94.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.338 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HD2' HD13 ' A' ' 12' ' ' ILE . 30.5 mmtp -85.12 12.01 8.64 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.163 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 6' ' ' LEU . 35.5 ttp180 -62.43 -35.16 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.076 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -77.22 -28.32 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.366 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 HD13 ' HD2' ' A' ' 9' ' ' LYS . 62.7 mt -74.71 -68.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -51.07 -50.12 59.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.657 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.561 HG21 ' N ' ' A' ' 15' ' ' HIS . 9.7 tt -55.36 -50.39 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.561 ' N ' HG21 ' A' ' 14' ' ' ILE . 40.4 m80 -89.73 55.72 3.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.257 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -41.09 121.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.513 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -88.13 138.42 15.04 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -34.39 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -72.61 -49.18 19.75 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.672 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 m -63.26 -36.45 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.61 HD12 HG11 ' A' ' 50' ' ' VAL . 9.4 mt -51.31 -62.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 111.263 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -52.7 -39.43 61.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.516 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.6 -28.03 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.404 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD11 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -72.52 -59.02 2.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.181 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.67 -32.43 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.43 -50.91 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.87 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 6.2 t -59.76 -41.28 90.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.76 -48.64 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.15 -42.02 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -47.95 -43.49 29.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.94 -18.66 53.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.443 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 65.4 34.86 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.875 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.5 p -76.92 -39.8 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.98 154.9 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.838 0.351 . . . . 0.0 110.668 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.0 t -91.45 148.06 22.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.762 HE22 HD22 ' A' ' 41' ' ' ASN . 1.0 OUTLIER -46.06 -28.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.471 . . . . 0.0 110.058 179.232 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.03 -37.81 69.68 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 68.0 m-20 -71.63 -49.18 42.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tpt -49.16 -33.8 13.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 0.0 109.921 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.762 HD22 HE22 ' A' ' 37' ' ' GLN . 2.8 m120 -69.69 -38.24 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.61 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -50.74 -48.51 59.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.69 -47.86 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 44' ' ' ARG . 23.8 tpt85 -53.18 -29.92 34.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.774 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -52.34 -19.6 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 43.95 79.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.984 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -59.26 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.551 ' CG ' ' H ' ' A' ' 49' ' ' THR . 34.8 t0 -160.34 -141.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.803 ' HG1' ' HE3' ' A' ' 51' ' ' MET . 68.3 p -52.42 -168.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.61 HG11 HD12 ' A' ' 22' ' ' ILE . 55.0 t -72.34 -23.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.803 ' HE3' ' HG1' ' A' ' 49' ' ' THR . 1.8 mpp? -61.32 -42.99 99.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.322 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -80.84 -37.49 29.89 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.538 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.96 -41.72 77.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' ILE . . . -74.55 -25.72 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -64.95 -48.39 74.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG21 ' N ' ' A' ' 57' ' ' LEU . 18.8 m -74.43 -46.64 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.437 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' HG21 ' A' ' 56' ' ' VAL . 13.2 tp -45.89 -52.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.32 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' ALA . 19.7 tt -71.03 -26.02 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.205 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.7 -38.38 70.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.49 -44.48 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 72' ' ' PHE . 91.1 t -53.41 -61.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -48.95 -47.77 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.402 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.489 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -44.92 -42.95 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.786 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -77.17 28.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.01 170.78 36.51 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 98.3 Cg_endo -76.63 -13.64 18.04 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.91 2.407 . . . . 0.0 112.091 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.62 -24.65 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.329 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.875 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.4 t -80.47 -27.63 37.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 6.7 p -50.05 -50.63 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 13.4 m -45.47 -54.29 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 77.5 mttt -67.02 -25.96 66.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CD1' HG22 ' A' ' 61' ' ' VAL . 56.3 t80 -73.41 -43.48 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.446 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.432 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 46.1 mt -72.48 -31.78 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.337 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.18 -54.7 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.87 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -53.06 -30.49 36.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -74.08 -52.76 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 77.0 m -45.56 -28.27 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.363 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -80.31 -46.5 16.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.66 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -74.13 -52.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.622 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.28 97.96 51.36 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.181 0.592 . . . . 0.0 110.99 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -82.91 -13.49 9.22 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.587 1.524 . . . . 0.0 111.946 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -64.93 1.02 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.372 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.71 -44.91 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.152 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.32 -13.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t -54.18 -35.0 61.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 0.0 110.099 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.47 -36.94 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.466 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.2 mmm -92.77 15.24 15.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.727 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -106.39 45.71 1.27 Allowed Glycine 0 N--CA 1.468 0.797 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.718 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.96 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -35.48 -37.09 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 111.784 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.5 t60 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.947 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.353 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 8.7 p-10 -162.05 85.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 94.0 mm-40 -153.54 45.65 0.63 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.35 -60.76 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.02 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.3 mm? -45.51 -54.97 6.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -40.12 -53.39 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.501 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.23 -43.88 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.448 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HD2' HD13 ' A' ' 12' ' ' ILE . 66.4 mmtt -80.97 7.28 11.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.078 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 26.6 ttp180 -58.29 -41.39 84.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.4 -27.26 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD13 ' HD2' ' A' ' 9' ' ' LYS . 95.5 mt -76.59 -70.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -47.5 -50.99 22.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.572 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.621 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 3.1 tt -54.07 -50.24 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.685 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.562 ' N ' HG21 ' A' ' 14' ' ' ILE . 31.9 m170 -93.41 55.09 2.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.456 0.302 . . . . 0.0 111.208 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 38.3 m -171.42 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 111.216 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' HG11 ' A' ' 17' ' ' VAL . 9.3 p -62.77 127.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.557 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.86 142.76 22.77 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.413 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.09 -28.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.362 . . . . 0.0 111.244 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -63.28 3.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.696 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -42.89 -39.92 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.596 0.236 . . . . 0.0 111.217 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.405 HD12 HG11 ' A' ' 50' ' ' VAL . 64.8 mt -50.21 -56.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.021 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -53.86 -42.77 68.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.35 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.692 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD11 ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -76.72 -58.43 3.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.315 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.72 -30.22 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.76 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.2 -47.14 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.393 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.049 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.7 t -60.5 -41.72 94.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.68 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -50.12 -47.22 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.424 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.75 -41.97 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.132 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.84 -39.21 68.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.607 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.5 -18.29 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 65.71 29.8 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.781 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -77.5 -43.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.936 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 pt -89.4 155.55 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.464 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.5 m -103.09 155.13 18.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.975 0.51 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.586 ' NE2' HD22 ' A' ' 41' ' ' ASN . 16.2 tm0? -44.39 -29.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.62 -48.17 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.02 -49.39 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.7 tpt -47.16 -33.58 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.586 HD22 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m120 -72.25 -35.68 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.799 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -52.71 -47.05 67.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.89 -53.77 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 46' ' ' GLU . 9.5 tpt180 -52.02 -15.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.111 0.481 . . . . 0.0 110.802 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 31.2 t70 -69.39 -1.38 8.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.423 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER 32.73 99.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.786 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -76.34 -66.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.754 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 49' ' ' THR . 33.6 t0 -162.56 -140.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.527 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 10.2 m -54.11 162.98 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.216 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' THR . 42.7 t -42.38 -47.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.47 -37.91 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.7 0.286 . . . . 0.0 111.27 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -45.37 13.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.538 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -59.38 -29.89 68.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.251 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.07 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.362 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' HE ' ' CD1' ' A' ' 14' ' ' ILE . 13.4 tpp85 -42.21 -47.58 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 57' ' ' LEU . 35.2 m -75.36 -47.19 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.847 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' N ' HG21 ' A' ' 56' ' ' VAL . 8.4 tp -50.26 -57.7 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.223 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 tt -61.16 -32.88 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.98 -50.85 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.447 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.59 -38.23 66.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.51 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.222 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -57.57 -19.57 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.55 11.86 17.27 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -138.58 47.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.918 0.487 . . . . 0.0 110.579 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.89 162.78 3.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.572 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.4 Cg_endo -75.46 -8.64 19.69 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.67 2.247 . . . . 0.0 111.87 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -60.43 -24.36 65.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.046 0.45 . . . . 0.0 110.567 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.781 ' HG ' HG22 ' A' ' 34' ' ' VAL . 5.9 t -80.87 -35.31 32.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.8 p -49.3 -45.96 45.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.499 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 78.5 m -53.33 -60.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 67.0 mttt -61.56 -29.93 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.252 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -65.76 -53.54 39.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.484 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 54.9 mt -60.38 -33.55 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.71 -58.5 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.24 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.049 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 27.4 m-70 -54.02 -31.56 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.973 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.83 -33.74 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.235 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 74.8 m -59.43 -46.47 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.66 -24.06 56.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.682 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.96 -34.85 26.35 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 111.643 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -149.95 108.07 3.24 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 119.232 -0.414 . . . . 0.0 110.975 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.65 -29.7 1.7 Allowed 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 121.442 1.428 . . . . 0.0 111.956 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.25 -62.52 1.82 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.38 -52.51 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.052 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -51.25 -18.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.949 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -55.41 -36.56 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.859 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -80.92 -37.87 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.94 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 mtp -88.5 11.19 17.78 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.357 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -99.77 44.52 1.64 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.863 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.663 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.1 -33.97 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.082 0.553 . . . . 0.0 111.95 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLY . 53.9 t-80 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -162.35 86.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -154.02 50.77 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.259 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.96 -59.57 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.3 mm? -48.19 -57.11 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 111.027 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -55.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.502 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.92 -44.27 77.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HD2' HD13 ' A' ' 12' ' ' ILE . 31.9 mmtp -83.05 12.54 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.9 ttp180 -65.05 -34.33 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -78.0 -29.39 49.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.443 HD13 ' HD2' ' A' ' 9' ' ' LYS . 89.3 mt -76.41 -65.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -49.3 -53.59 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.575 HG21 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -53.23 -49.7 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.615 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.575 ' N ' HG21 ' A' ' 14' ' ' ILE . 37.4 m80 -91.21 52.76 2.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -167.67 -52.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.9 p -43.2 124.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.25 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.34 144.02 24.25 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -26.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -62.21 2.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.674 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 m -42.94 -37.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.533 0.206 . . . . 0.0 111.257 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 HD12 HG11 ' A' ' 50' ' ' VAL . 67.3 mt -52.01 -59.32 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.687 0.28 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -52.26 -40.9 62.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.35 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -25.62 56.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.2 tm? -77.48 -58.15 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.58 -28.59 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.718 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -66.43 -44.19 83.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.22 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.929 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -62.59 -43.22 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.676 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.0 mt -49.18 -46.58 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.352 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 80.1 mt -56.14 -44.07 78.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.333 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -45.76 -44.88 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.338 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -79.89 -17.98 51.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 25.7 mt-10 64.81 32.31 11.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.878 HG22 ' HG ' ' A' ' 68' ' ' SER . 4.4 p -75.37 -39.23 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.476 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 pt -88.52 153.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 39' ' ' ASP . 13.9 m -89.93 148.73 22.95 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.775 HE22 HD22 ' A' ' 41' ' ' ASN . 0.1 OUTLIER -46.82 -33.62 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.055 0.455 . . . . 0.0 110.335 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -70.13 -34.14 72.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.499 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 50.7 m-20 -72.05 -51.53 21.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.2 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 40' ' ' MET . 3.3 tmm? -49.24 -31.49 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.775 HD22 HE22 ' A' ' 37' ' ' GLN . 9.6 m120 -68.69 -41.86 78.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -50.5 -48.21 57.03 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 t -70.73 -48.96 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.029 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -11.57 27.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.706 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.07 -12.2 53.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.786 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 50.8 82.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.57 -49.75 17.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.6 t0 -171.62 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.509 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 35.5 p -66.26 179.67 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.472 HG11 HD12 ' A' ' 22' ' ' ILE . 56.0 t -55.9 -33.81 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -40.56 72.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 111.133 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.81 -37.06 21.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.897 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.728 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 10.2 mtmp? -70.01 -32.53 70.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' ILE . . . -79.13 -35.59 41.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -56.7 -43.8 80.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 HG21 ' N ' ' A' ' 57' ' ' LEU . 16.4 m -76.06 -46.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.621 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.1 tp -49.19 -56.17 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.345 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' ALA . 18.2 tt -60.96 -38.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.376 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.67 -56.83 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.172 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.8 mt -44.71 -46.58 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.94 -59.77 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.242 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -58.49 -19.96 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.0 13.84 12.84 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 38.4 mmtm -138.18 44.99 2.12 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.893 0.477 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.87 162.99 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.49 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.0 Cg_endo -74.73 -9.66 21.27 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.762 2.308 . . . . 0.0 111.812 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.37 -25.54 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.982 0.42 . . . . 0.0 110.484 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.878 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.3 t -79.56 -31.57 41.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.848 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.1 p -49.55 -37.7 28.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.13 -69.01 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.061 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.3 mttm -49.48 -26.42 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.59 -53.37 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.162 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.49 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 60.9 mt -60.7 -32.25 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.441 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -74.29 -51.83 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.929 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -59.66 -31.36 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.108 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.8 -33.62 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 91.8 m -58.99 -47.61 84.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.612 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.47 -24.51 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.94 -30.68 26.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.838 0.352 . . . . 0.0 111.267 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -149.75 99.89 3.31 Favored Pre-proline 0 N--CA 1.469 0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.42 -13.12 9.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.47 1.446 . . . . 0.0 111.829 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.02 -63.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.09 -47.03 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.835 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.47 -15.32 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.868 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 t -55.09 -37.06 66.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.93 -35.35 24.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mtp -92.86 16.0 13.48 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -105.65 44.56 1.45 Allowed Glycine 0 N--CA 1.468 0.788 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.303 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.649 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.93 -33.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.832 0.453 . . . . 0.0 111.86 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' GLY . 85.8 t60 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 10.8 p-10 -160.9 82.09 0.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.78 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -151.23 51.98 0.84 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.35 -60.55 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.865 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.1 mm? -48.39 -61.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.421 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -39.45 -50.8 2.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.768 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -70.07 -47.83 60.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -83.11 13.88 3.8 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.651 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.625 HH21 ' NH1' ' A' ' 55' ' ' ARG . 47.0 ttt-85 -61.06 -34.36 74.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -74.73 -26.63 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.282 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -77.71 -69.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.247 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -45.88 -51.37 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.461 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.571 HG21 ' N ' ' A' ' 15' ' ' HIS . 6.3 tt -55.41 -50.03 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.531 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.571 ' N ' HG21 ' A' ' 14' ' ' ILE . 32.1 m170 -91.25 52.57 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 111.025 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -165.9 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 HG23 ' H ' ' A' ' 18' ' ' GLY . 5.8 p -44.12 166.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' H ' HG23 ' A' ' 17' ' ' VAL . . . -146.22 147.24 18.07 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -33.96 -39.5 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.94 -56.17 26.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 m -65.09 -36.79 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.622 0.249 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.656 HD12 HG11 ' A' ' 50' ' ' VAL . 82.7 mt -51.99 -59.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 111.409 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.523 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB2' ' CD ' ' A' ' 79' ' ' GLU . . . -75.46 -26.17 58.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.665 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.86 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.06 -26.72 64.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 110.612 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -65.37 -45.15 85.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.35 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.997 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.7 mt -49.93 -47.29 52.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.594 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 33' ' ' GLU . 54.0 mt -56.86 -43.57 81.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -45.62 -46.12 14.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.52 -18.06 55.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mt-10 65.95 34.18 7.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.892 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.7 p -75.95 -40.19 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 pt -89.18 156.02 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ASP . 58.7 m -97.83 151.05 20.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -44.62 -31.76 1.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.67 -39.96 80.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.356 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 59.1 m-20 -71.56 -50.83 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 tpt -47.5 -32.33 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 41' ' ' ASN . 2.0 m120 -72.81 -38.35 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -51.34 38.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.81 -49.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' NH1' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -57.39 -20.81 32.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.535 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -57.57 -19.3 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' OE2' ' NH1' ' A' ' 44' ' ' ARG . 46.5 mt-10 48.64 76.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -64.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -159.88 -141.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 50' ' ' VAL . 11.0 m -57.22 160.73 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.656 HG11 HD12 ' A' ' 22' ' ' ILE . 77.8 t -43.36 -26.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.569 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.35 -42.26 81.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -84.03 -38.82 20.4 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.602 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.713 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 9.9 mtmp? -70.13 -28.5 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.644 0.259 . . . . 0.0 111.243 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.02 -51.06 9.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH1' HH21 ' A' ' 10' ' ' ARG . 14.8 tpp85 -47.39 -42.42 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG21 ' N ' ' A' ' 57' ' ' LEU . 15.7 m -72.3 -51.49 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.368 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.9 tp -47.62 -54.56 11.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.38 -24.8 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.513 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.96 -41.88 50.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.154 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.7 -40.75 93.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.71 -69.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -49.1 -17.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -78.53 -36.51 29.71 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.526 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 48.0 mmtt -77.65 29.56 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 67' ' ' LYS . . . 77.69 134.46 0.74 Allowed Glycine 0 CA--C 1.533 1.174 0 CA-C-O 118.921 -0.933 . . . . 0.0 112.342 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.0 Cg_exo -41.3 -16.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 CA-C-N 120.576 2.188 . . . . 0.0 113.196 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 65' ' ' GLY . 42.6 tttm -54.54 -26.53 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 110.537 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.892 ' HG ' HG22 ' A' ' 34' ' ' VAL . 7.6 t -82.55 -20.14 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.865 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.5 p -59.33 -39.42 83.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.431 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 m -54.26 -61.78 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.346 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 40.1 mttp -60.88 -27.75 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.361 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.81 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 61.2 mt -49.72 -36.03 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.63 -51.0 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.302 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.997 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 6.2 m-70 -59.87 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.11 -33.85 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 93.1 m -59.34 -49.47 77.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.756 -179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.91 -21.64 59.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.83 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CD ' ' HB2' ' A' ' 24' ' ' ALA . 53.5 mm-40 -86.12 -31.91 21.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -147.65 98.85 3.86 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -82.45 -14.04 9.48 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.521 1.48 . . . . 0.0 111.963 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -71.99 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.283 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 85' ' ' SER . 4.3 tp -66.65 -49.5 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.797 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.81 -13.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.5 t -54.61 -35.58 63.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.992 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.15 -35.75 19.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.296 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.2 mtp -90.72 12.4 19.24 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.469 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -97.76 41.37 2.3 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.191 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.63 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -31.68 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.991 0.516 . . . . 0.0 111.925 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.883 0.373 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 17.7 p-10 -160.65 80.56 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 14.2 mm100 -145.31 56.37 1.23 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.246 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.53 -52.62 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.713 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.2 mm? -53.75 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.26 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -38.67 -54.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.704 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -66.12 -48.9 69.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.31 19.19 2.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.003 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 34.4 ttp85 -67.91 -38.05 82.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -74.28 -26.1 60.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -77.48 -68.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.29 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -46.01 -53.06 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.389 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.571 HG21 ' N ' ' A' ' 15' ' ' HIS . 5.5 tt -53.6 -50.73 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.569 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.571 ' N ' HG21 ' A' ' 14' ' ' ILE . 39.9 m80 -88.78 56.42 3.74 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -170.4 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.293 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -40.43 125.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.646 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.28 142.12 21.06 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.582 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -38.46 -39.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -63.77 3.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 m -42.67 -36.18 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.638 HD12 HG11 ' A' ' 50' ' ' VAL . 92.1 mt -54.05 -52.11 39.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.71 0.29 . . . . 0.0 111.664 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -60.14 -40.15 88.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.404 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.55 -28.6 61.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.9 tm? -73.02 -58.59 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.317 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.1 -29.47 63.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.29 -51.71 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.265 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.024 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -59.11 -40.22 84.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.517 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 mt -55.82 -45.29 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.74 -38.18 66.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -58.14 -35.77 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.77 -18.05 62.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 66.48 27.11 9.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.019 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.46 -47.95 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 pt -90.99 155.3 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 120.947 0.404 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -104.17 164.7 11.54 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -48.48 -28.1 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.16 0.505 . . . . 0.0 109.799 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.89 -63.64 1.02 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.61 -44.18 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.241 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.3 tpt -49.16 -36.53 19.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 3.8 m120 -66.87 -36.81 83.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.008 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.04 -46.31 64.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' A' ' 45' ' ' ASP . 10.8 t -75.19 -53.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.04 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -57.24 -11.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.107 0.479 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 43' ' ' VAL . 41.2 t0 -56.78 -16.22 6.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 43.89 65.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.05 -56.21 25.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' OD2' ' OD2' ' A' ' 52' ' ' ASP . 21.7 m-20 -159.86 -141.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.95 0.405 . . . . 0.0 110.784 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -60.46 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.268 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.638 HG11 HD12 ' A' ' 22' ' ' ILE . 44.9 t -61.47 -57.55 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtt -38.28 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 111.689 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' VAL . 20.0 t0 -86.77 -52.57 5.43 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.441 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.669 ' CB ' ' HZ3' ' A' ' 53' ' ' LYS . 8.7 mtmp? -60.25 -29.64 68.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -42.89 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -49.13 -45.94 44.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 57' ' ' LEU . 25.2 m -76.87 -43.99 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.626 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.444 ' N ' HG21 ' A' ' 56' ' ' VAL . 12.2 tp -49.87 -56.44 10.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.241 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -65.98 -33.68 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.444 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -68.51 -33.32 73.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.79 -58.55 4.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.6 t -43.84 -52.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -56.97 -30.24 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -80.77 -38.61 15.86 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.676 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -75.65 28.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 84.58 155.13 22.29 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.454 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 65.6 Cg_endo -78.62 4.68 6.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.401 2.068 . . . . 0.0 112.005 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -62.86 -36.38 83.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -84.56 -11.22 56.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.45 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.4 p -57.97 -51.84 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m -60.51 -53.03 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -60.11 -36.11 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.5 -57.06 13.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.51 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.488 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 67.0 mt -51.25 -38.97 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.607 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.26 -59.34 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.024 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.5 m-70 -50.98 -36.84 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.8 tp -63.99 -31.81 73.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 36.5 m -63.33 -48.65 77.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.7 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -77.45 -13.98 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.792 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -93.93 -35.15 12.8 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -149.89 77.59 8.45 Favored Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 120.636 0.255 . . . . 0.0 111.411 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.79 -28.12 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.697 2.264 . . . . 0.0 112.261 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.38 -72.02 0.16 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.47 -31.56 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.191 0.519 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -66.02 -15.03 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.659 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 p -59.76 -39.09 83.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -88.41 -22.11 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 45.2 mmm -112.29 24.42 12.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.135 0.574 . . . . 0.0 110.333 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -126.21 54.63 0.75 Allowed Glycine 0 N--CA 1.471 1.027 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.57 -36.1 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.622 -179.553 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 27.4 p80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.845 0.355 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.3 p-10 -165.0 94.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -154.6 61.75 0.67 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.85 -53.19 59.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.5 mm? -51.84 -63.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.938 0.399 . . . . 0.0 110.74 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.88 -57.46 0.81 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.815 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -62.96 -50.6 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' SD ' ' A' ' 87' ' ' MET . 36.6 mmtm -82.05 14.69 2.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.0 tpt180 -60.98 -38.55 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -75.04 -27.19 59.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.336 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -76.08 -71.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.243 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -46.58 -50.98 16.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.636 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.549 HG21 ' N ' ' A' ' 15' ' ' HIS . 2.6 tt -53.66 -49.89 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.43 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.549 ' N ' HG21 ' A' ' 14' ' ' ILE . 35.2 m170 -91.75 52.55 2.05 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.209 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 m -168.37 -53.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.317 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.2 p -40.9 123.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.504 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -84.22 142.24 20.39 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.31 -0.472 . . . . 0.0 112.632 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -41.3 -20.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.291 . . . . 0.0 111.417 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.14 -60.16 2.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.693 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -51.61 -31.79 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.661 HD12 HG11 ' A' ' 50' ' ' VAL . 85.2 mt -56.49 -47.39 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.738 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -65.06 -37.26 86.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.55 -27.42 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.19 -58.23 3.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.438 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -59.45 -32.93 70.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.39 -41.7 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.101 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.8 -43.26 89.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.66 -47.95 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.629 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.4 mt -57.66 -44.56 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -46.22 -40.19 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 14.0 m-20 -80.95 -20.93 40.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.2 mt-10 67.48 34.19 4.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.872 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.5 p -76.3 -37.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 pt -88.62 -168.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.332 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -144.76 156.79 44.24 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.977 0.418 . . . . 0.0 111.06 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.517 ' NE2' ' OD1' ' A' ' 41' ' ' ASN . 9.1 tm0? -42.5 -27.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.102 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.19 -54.54 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 5.0 m-20 -67.15 -47.48 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.684 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 ttt -46.57 -36.63 7.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.11 0.481 . . . . 0.0 110.288 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.554 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.9 OUTLIER -69.89 -37.9 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.768 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -51.42 -48.21 62.76 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.712 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.1 -51.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.991 0.424 . . . . 0.0 111.052 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.45 -21.63 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.868 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -55.46 -23.75 27.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 52.01 90.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -75.59 -64.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 49' ' ' THR . 21.5 t70 -160.81 -141.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.546 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.8 t -52.44 172.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 22' ' ' ILE . 48.3 t -53.25 -38.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -46.07 -40.1 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.714 0.293 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -80.93 -48.74 11.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.267 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.447 ' HZ3' ' C ' ' A' ' 49' ' ' THR . 41.7 mttp -54.23 -34.25 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.187 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.74 -51.34 9.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -42.81 -45.34 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG21 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.58 -51.42 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.606 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' HG21 ' A' ' 56' ' ' VAL . 10.8 tp -47.24 -50.74 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.446 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.67 -26.87 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.38 -42.21 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.86 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.76 -59.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -50.26 -49.26 53.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -46.86 -39.82 11.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.648 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 29.3 mmtm -76.14 28.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.41 169.24 32.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.506 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 85.7 Cg_endo -75.33 -13.89 20.6 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.806 2.337 . . . . 0.0 111.974 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.728 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 7.2 ttpm? -58.9 -26.47 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.325 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.872 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.2 t -79.59 -27.84 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -52.2 -44.16 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.095 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 18.9 t -50.9 -56.8 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.258 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 72.3 mttt -63.88 -28.46 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.29 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -69.63 -41.9 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.483 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 82.5 mt -70.82 -39.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.42 -46.77 69.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.101 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 14.5 m-70 -60.28 -62.86 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -39.52 -39.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.767 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 92.6 m -60.88 -50.91 71.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.88 -11.91 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -107.92 -37.04 6.2 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.273 0.488 . . . . 0.0 112.099 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -134.52 74.28 66.21 Favored Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 120.888 0.375 . . . . 0.0 111.31 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -54.89 -26.41 48.42 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.02 2.48 . . . . 0.0 112.736 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -75.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.7 tp -53.54 -33.37 54.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -59.02 -10.28 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.554 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 t -64.51 -46.54 82.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.274 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -86.24 1.44 50.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.451 ' SD ' ' CB ' ' A' ' 9' ' ' LYS . 64.7 mmm -139.58 32.09 2.06 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.411 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -153.18 62.0 0.38 Allowed Glycine 0 C--N 1.334 0.451 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.616 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.58 -34.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.803 0.441 . . . . 0.0 111.687 -179.437 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.943 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.914 0.388 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.2 p-10 -164.43 88.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.724 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -151.81 56.33 0.85 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 89' ' ' LEU . 8.8 tt -56.89 -63.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.652 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -44.26 -41.23 5.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.991 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 9' ' ' LYS . 57.1 ttt-85 -58.17 -66.7 0.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.224 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -70.95 12.36 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.367 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 7' ' ' ARG . 41.1 mmtm -137.97 6.5 2.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.934 0.494 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' LEU . 55.0 ttp180 -64.56 -33.73 76.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 20.6 ptt180 -73.16 -26.0 61.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.07 -73.48 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -42.51 -47.71 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.494 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.553 HG21 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -60.45 -48.67 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' N ' HG21 ' A' ' 14' ' ' ILE . 36.1 m80 -87.17 50.7 2.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.195 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -169.87 -52.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.205 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 17' ' ' VAL . 7.5 p -41.46 122.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.024 0.44 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.59 144.24 23.08 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.29 -24.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.264 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -59.9 2.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.7 m -44.53 -37.62 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.584 0.231 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.486 HD12 HG11 ' A' ' 50' ' ' VAL . 65.5 mt -51.47 -59.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.921 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.0 -40.73 64.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.472 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.91 56.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.594 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -77.02 -58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.262 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.37 -29.63 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.57 -44.53 90.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.438 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.093 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.2 t -63.99 -40.33 96.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 mt -50.24 -51.17 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.19 -40.62 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.477 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.653 ' CB ' ' HZ1' ' A' ' 71' ' ' LYS . 4.5 m-20 -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.852 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.29 30.18 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.1 p -77.54 -43.41 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.92 155.18 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.132 0.492 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.7 t -94.39 164.57 12.96 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.658 HE22 HD22 ' A' ' 41' ' ' ASN . 0.0 OUTLIER -59.56 -23.65 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -74.16 -40.94 62.24 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.461 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -73.42 -40.99 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 0.0 109.903 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 ttt -56.89 -30.2 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.658 HD22 HE22 ' A' ' 37' ' ' GLN . 2.4 m120 -72.03 -40.47 68.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.18 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.61 -45.68 48.38 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.03 -46.75 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.772 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -62.7 -21.41 65.74 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.153 0.501 . . . . 0.0 110.555 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.92 -3.68 2.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.157 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 44' ' ' ARG . 7.0 pt-20 35.61 83.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.552 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.465 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.4 t0 -171.83 -139.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.465 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 5.6 p -64.19 -166.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.448 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG11 HD12 ' A' ' 22' ' ' ILE . 56.4 t -66.7 -38.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.5 OUTLIER -53.86 -35.67 61.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 0.0 111.332 -179.386 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.04 -38.46 14.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.826 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' NZ ' ' C ' ' A' ' 49' ' ' THR . 28.5 mtmm -70.43 -27.59 64.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.75 10.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.471 HH12 ' CZ ' ' A' ' 10' ' ' ARG . 6.2 tpp180 -46.47 -43.82 17.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.889 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 57' ' ' LEU . 16.8 m -75.65 -50.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' HG21 ' A' ' 56' ' ' VAL . 9.8 tp -47.65 -55.49 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.314 . . . . 0.0 111.198 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.25 -34.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.98 -50.55 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.122 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -51.53 -51.33 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 72' ' ' PHE . 64.2 t -47.04 -58.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.363 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 m -57.82 -12.79 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.318 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -68.56 -46.41 62.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.75 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 1.6 mppt? -77.12 29.43 0.14 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.878 0.371 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.02 178.18 46.71 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.562 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.492 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.55 -5.96 17.6 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.86 2.374 . . . . 0.0 112.009 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.58 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.839 ' HG ' HG22 ' A' ' 34' ' ' VAL . 6.8 t -80.64 -36.88 31.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -43.9 -36.01 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 m -57.38 -65.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.653 ' HZ1' ' CB ' ' A' ' 32' ' ' ASP . 30.1 mtpt -59.41 -30.74 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.414 ' CD2' HG22 ' A' ' 61' ' ' VAL . 53.0 t80 -63.37 -60.47 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 45.4 mt -55.21 -35.02 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.388 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.18 -48.0 46.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.274 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.093 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 15.7 m-70 -63.35 -43.04 98.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.081 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.0 tp -61.18 -34.36 74.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 98.2 m -60.44 -53.16 60.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -69.24 -19.29 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.578 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -89.73 -31.48 17.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.774 0.321 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -150.34 101.46 3.14 Favored Pre-proline 0 N--CA 1.471 0.603 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -82.48 -18.14 7.13 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.489 1.459 . . . . 0.0 112.054 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.64 -57.9 4.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.351 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.0 tp -67.41 -51.16 55.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.2 -13.27 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.842 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 83' ' ' LEU . 13.0 t -55.26 -33.89 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.219 0.533 . . . . 0.0 109.802 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -83.21 -38.72 21.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.044 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.532 ' O ' HD23 ' A' ' 89' ' ' LEU . 14.4 mmm -92.16 16.12 12.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.15 36.36 3.7 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.312 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.642 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.18 -35.69 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.837 0.351 . . . . 0.0 111.627 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.78 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.9 p-10 -161.84 80.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -146.67 49.15 1.15 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.36 -52.11 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -55.72 -59.53 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.215 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.548 ' NH1' HH22 ' A' ' 10' ' ' ARG . 40.3 ttm-85 -36.52 -59.06 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.985 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -70.08 -43.34 71.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HD2' HD13 ' A' ' 12' ' ' ILE . 31.2 mmtp -83.07 17.75 1.88 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.993 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.548 HH22 ' NH1' ' A' ' 7' ' ' ARG . 20.6 ttp180 -72.44 -34.5 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 32.8 ptt85 -76.96 -26.21 53.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 HD13 ' HD2' ' A' ' 9' ' ' LYS . 69.8 mt -76.61 -69.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -48.39 -48.78 36.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.711 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG21 ' N ' ' A' ' 15' ' ' HIS . 3.0 tt -59.15 -49.68 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.798 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.554 ' N ' HG21 ' A' ' 14' ' ' ILE . 35.1 m80 -88.13 53.82 2.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.286 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 15' ' ' HIS . 35.8 m -172.5 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.063 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 17' ' ' VAL . 11.0 p -41.43 130.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.6 156.6 29.22 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.2 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -50.97 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.95 -57.56 10.85 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ALA . 40.8 m -42.68 -60.57 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 mm -35.64 -40.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.116 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -70.58 -41.02 72.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' THR . . . -76.26 -23.77 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.522 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.62 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.16 -30.46 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.22 -42.06 93.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.109 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 5.6 t -67.4 -34.64 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.22 -51.77 66.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.655 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -54.69 -42.86 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -47.0 -45.33 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.321 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.75 -17.83 55.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.573 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 65.28 32.87 9.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.932 HG22 ' HG ' ' A' ' 68' ' ' SER . 4.7 p -76.18 -38.18 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.269 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -88.21 156.93 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ASP . 49.8 m -98.68 149.49 22.76 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.525 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -42.73 -31.07 0.43 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.647 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.512 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 1.9 m-20 -72.41 -45.54 59.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -52.25 -31.26 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.917 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 3.4 m120 -71.86 -38.47 70.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -52.91 -49.82 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.21 -37.74 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' A' ' 46' ' ' GLU . 22.9 tpt180 -63.45 -27.76 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 110.929 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLU . 23.1 m-20 -61.67 -5.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' H ' ' C ' ' A' ' 44' ' ' ARG . 5.8 pt-20 35.86 98.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.829 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -70.42 -71.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 49' ' ' THR . 3.3 p30 -161.6 -141.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.604 ' HG1' ' HE3' ' A' ' 51' ' ' MET . 11.3 p -44.41 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.93 -34.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.604 ' HE3' ' HG1' ' A' ' 49' ' ' THR . 0.7 OUTLIER -49.24 -40.81 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -79.74 -49.83 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.221 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.32 -32.57 56.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.948 0.404 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 58' ' ' ILE . . . -80.04 -42.12 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -56.51 -42.58 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG21 ' N ' ' A' ' 57' ' ' LEU . 28.5 m -77.01 -45.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.174 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HG21 ' A' ' 56' ' ' VAL . 12.3 tp -54.71 -51.08 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 54' ' ' ALA . 17.9 tt -68.05 -27.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.244 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -71.63 -46.68 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -55.59 -50.27 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -48.61 -57.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -50.6 -42.32 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -53.27 -41.4 61.95 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.437 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 26.2 mmtm -75.32 27.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 76.08 166.9 22.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 97.9 Cg_endo -73.28 -14.52 25.53 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 111.698 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -59.66 -23.23 62.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.932 ' HG ' HG22 ' A' ' 34' ' ' VAL . 21.0 t -79.03 -33.9 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.827 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 8.7 p -43.11 -33.94 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.01 -58.98 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -63.9 -25.54 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.83 -58.93 3.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 50.4 mt -61.06 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -59.91 -52.9 63.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.577 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.109 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 7.0 m-70 -60.75 -59.85 4.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 0.0 110.988 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.8 tp -40.97 -31.01 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 83.0 m -73.56 -38.3 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.452 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -72.97 -11.12 60.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -115.05 -44.72 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 120.772 0.32 . . . . 0.0 111.087 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -116.73 92.57 38.48 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 123.278 0.631 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -83.86 -11.53 8.92 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.796 1.664 . . . . 0.0 112.227 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.511 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.97 -41.02 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.435 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -61.54 -17.56 55.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 p -54.55 -30.92 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.78 -38.44 15.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.7 mmm -92.71 13.4 20.25 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -97.89 40.52 2.48 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.209 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.616 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -31.75 -31.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.934 0.493 . . . . 0.0 111.927 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.5 t-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 12.8 p-10 -162.49 92.03 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -153.96 60.66 0.72 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.491 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.3 mm? -46.22 -56.87 5.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.885 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.45 -59.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.521 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -64.94 -43.82 91.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.399 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.92 6.39 11.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.69 ' NH2' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.86 -38.7 73.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.77 -29.89 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.338 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.79 -68.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -47.97 -53.29 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.393 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.563 HG21 ' N ' ' A' ' 15' ' ' HIS . 4.4 tt -51.52 -49.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.563 ' N ' HG21 ' A' ' 14' ' ' ILE . 41.6 m80 -91.83 57.7 3.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.493 0.317 . . . . 0.0 111.079 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -170.51 -57.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.54 131.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 154.31 26.39 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.171 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -26.92 13.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.34 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.04 -61.18 2.91 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.602 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 m -42.46 -38.8 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD12 HG11 ' A' ' 50' ' ' VAL . 69.9 mt -51.9 -60.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.759 0.314 . . . . 0.0 110.949 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -51.31 -38.8 54.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 -27.72 53.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.375 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -73.94 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.527 -179.25 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 27' ' ' ASP . 3.2 pp -57.8 -36.23 71.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 0.0 110.663 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD13 ' A' ' 26' ' ' LEU . 10.1 t70 -57.07 -44.03 82.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 1.101 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.85 -33.98 77.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.76 -34.99 76.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.79 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.74 -40.06 84.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.4 . . . . 0.0 110.17 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.35 -37.71 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 8.6 m-20 -75.68 -21.87 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 69.28 28.7 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.859 HG22 ' HG ' ' A' ' 68' ' ' SER . 2.6 p -75.78 -40.64 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 pt -89.27 -168.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.308 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -146.66 161.92 39.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 11.6 tp60 -45.61 -25.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.517 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.25 -58.56 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.601 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.88 -48.45 71.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 tpt -45.64 -35.65 4.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.586 ' N ' HD21 ' A' ' 41' ' ' ASN . 1.4 m120 -72.12 -36.28 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.035 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 2.2 tmtp? -53.01 -49.03 67.03 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.09 -38.49 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.0 tpt85 -62.45 -29.64 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.03 0.443 . . . . 0.0 110.813 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.0 p-10 -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.614 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 29.4 mt-10 49.96 94.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -75.48 -63.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.991 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -159.66 -141.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -50.08 179.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.34 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.509 HG11 HD12 ' A' ' 22' ' ' ILE . 38.6 t -60.56 -44.21 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -41.79 -39.29 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.417 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -81.89 -48.91 10.94 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.261 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HZ3' ' HG2' ' A' ' 46' ' ' GLU . 55.7 mttm -54.26 -31.89 54.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.95 -50.51 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.69 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 39.6 tpt85 -42.46 -48.74 5.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG21 ' N ' ' A' ' 57' ' ' LEU . 13.2 m -74.46 -47.21 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.608 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' N ' HG21 ' A' ' 56' ' ' VAL . 8.7 tp -49.28 -55.86 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 111.328 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.0 tt -62.87 -30.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.88 -46.04 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.534 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.49 -51.0 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' CD2' ' A' ' 72' ' ' PHE . 68.1 t -46.06 -55.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -57.94 -48.88 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -43.6 -44.29 6.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -77.2 30.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.86 162.23 24.85 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.284 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 Cg_endo -74.98 -13.96 21.31 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.706 2.271 . . . . 0.0 111.773 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -57.03 -22.01 35.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.191 0.52 . . . . 0.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.859 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.0 t -78.04 -32.37 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 10.3 p -46.04 -51.73 13.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.572 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 86.2 m -46.42 -50.62 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 56.8 mttm -71.56 -23.39 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 61' ' ' VAL . 52.5 t80 -73.55 -52.4 13.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.038 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 65.0 mt -62.21 -29.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.375 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -75.95 -54.59 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 1.101 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 23.5 m-70 -57.17 -27.37 61.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.44 . . . . 0.0 110.516 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.16 -32.49 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 91.8 m -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.322 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -80.38 -28.0 38.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.928 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -53.64 6.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 111.586 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -131.11 77.29 75.1 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 122.828 0.451 . . . . 0.0 111.255 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.94 -29.53 35.75 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.699 2.266 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.81 -29.29 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 0.0 110.132 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -61.41 -10.99 8.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 p -69.04 -49.71 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -80.35 11.39 3.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.15 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.41 ' HE3' ' HB3' ' A' ' 87' ' ' MET . 18.1 mtp -145.95 13.87 1.32 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -116.23 51.19 0.74 Allowed Glycine 0 N--CA 1.471 1.024 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.641 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.28 -34.59 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.892 0.477 . . . . 0.0 111.707 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLY . 16.7 t-80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -162.05 91.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -155.36 42.38 0.44 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 89' ' ' LEU . 9.4 tt -59.78 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.66 ' H ' HD23 ' A' ' 6' ' ' LEU . 3.2 mm? -44.48 -52.74 7.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -61.02 0.69 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -69.91 -40.33 75.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.51 22.66 1.03 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' O ' HG23 ' A' ' 14' ' ' ILE . 41.4 ttp180 -75.55 -45.5 37.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -68.54 -27.44 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.28 -68.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.447 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -49.93 -56.85 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 111.277 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 15' ' ' HIS . 5.2 tt -46.98 -50.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.455 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG21 ' A' ' 14' ' ' ILE . 32.5 m170 -91.86 55.17 2.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.436 0.295 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -168.19 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 111.335 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 17' ' ' VAL . 9.9 p -39.57 124.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.821 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.71 23.98 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HA ' HD13 ' A' ' 22' ' ' ILE . . . -42.66 -28.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.28 -63.22 2.42 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.73 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 m -42.58 -35.39 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.662 0.268 . . . . 0.0 111.335 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.686 HD12 HG11 ' A' ' 50' ' ' VAL . 93.4 mt -53.3 -60.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -53.72 -37.97 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.403 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.93 -27.3 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 111.428 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.496 HD11 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.09 -58.88 3.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.98 -27.62 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.91 -46.95 85.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.331 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.999 ' HG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -63.12 -41.97 99.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.9 mt -51.88 -45.32 64.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.563 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.0 -41.83 79.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -50.3 -40.87 49.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.56 -16.6 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 66.68 32.85 6.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.823 HG22 ' HG ' ' A' ' 68' ' ' SER . 3.6 p -77.15 -45.75 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.219 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 pt -88.99 155.69 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.956 0.407 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 p -101.1 159.36 15.29 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.234 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.727 HE22 HD22 ' A' ' 41' ' ' ASN . 0.6 OUTLIER -47.9 -27.23 2.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.45 -51.27 37.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.503 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 44.8 m-20 -65.9 -38.25 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 110.137 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.56 -29.48 62.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.676 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.727 HD22 HE22 ' A' ' 37' ' ' GLN . 8.9 m120 -72.46 -42.08 65.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.04 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HZ3' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -48.27 -49.45 33.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 -179.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 t -73.66 -52.77 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.35 -12.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.934 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -13.91 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 44.56 64.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -50.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.517 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 3.8 m-20 -159.55 -141.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.7 p -55.93 163.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.686 HG11 HD12 ' A' ' 22' ' ' ILE . 54.6 t -45.28 -32.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -53.54 -40.02 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.916 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.34 -42.91 16.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 39.0 mttp -59.32 -37.3 77.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.43 -37.97 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.542 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.4 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.43 -39.22 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.871 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 111.513 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 59' ' ' ASP . 17.6 tt -56.84 -41.95 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.718 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' HG21 ' A' ' 58' ' ' ILE . 8.8 t70 -61.87 -60.24 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.96 -46.42 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.4 -65.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 m -44.61 -49.97 9.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.238 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -42.99 -41.22 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.662 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 42.7 mmtm -77.29 28.44 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.6 172.2 40.65 Favored Glycine 0 C--N 1.329 0.158 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.664 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.1 Cg_endo -77.18 -13.99 16.84 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.888 2.392 . . . . 0.0 112.214 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -59.08 -25.76 64.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.823 ' HG ' HG22 ' A' ' 34' ' ' VAL . 8.9 t -81.21 -30.19 34.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.8 p -53.29 -49.68 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.201 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 15.5 t -41.99 -45.96 3.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.405 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -76.41 -27.32 56.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.65 -53.37 19.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.355 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.41 -35.48 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -73.66 -66.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.999 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.999 ' CD2' ' HG ' ' A' ' 28' ' ' CYS . 12.0 m-70 -43.62 -27.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.077 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 tp -76.18 -55.71 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -41.86 -32.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.523 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.11 -45.76 19.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.62 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -71.14 -53.85 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.642 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.41 97.19 48.98 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.265 0.626 . . . . 0.0 111.0 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -83.18 -13.05 9.11 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.691 1.594 . . . . 0.0 111.928 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -58.59 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.308 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 85' ' ' SER . 2.9 tp -64.85 -47.67 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.627 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.52 -11.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.722 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.515 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.3 t -57.28 -39.4 75.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.018 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -80.13 -33.61 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.974 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.605 ' O ' HD23 ' A' ' 89' ' ' LEU . 19.1 mtp -90.36 7.74 37.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.17 39.76 2.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.733 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.675 ' H ' HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -35.52 -46.24 0.39 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.098 0.475 . . . . 0.0 111.443 -179.438 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.536 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.879 0.371 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -59.53 4.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -48.17 -56.31 8.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.03 -69.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.558 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -57.37 -42.54 82.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HD2' HD12 ' A' ' 12' ' ' ILE . 54.9 mmtt -87.91 24.99 1.64 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.112 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.2 ttp180 -76.38 -31.8 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.682 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -76.75 -27.96 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.388 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 9' ' ' LYS . 49.0 mt -75.7 -70.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -47.37 -45.91 25.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.789 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.1 tt -62.22 -50.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.2 m80 -89.2 52.82 2.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.69 0.281 . . . . 0.0 111.312 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -171.13 -53.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.332 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.2 p -41.64 123.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.5 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 144.2 25.71 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.355 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.95 -22.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.97 -62.7 2.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -45.43 -37.82 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.5 0.19 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.15 -50.53 54.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.171 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -59.02 -40.67 85.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.89 0.376 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.43 56.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.48 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.94 -57.95 3.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.322 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.36 -31.99 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -63.65 -43.52 96.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.6 t -63.53 -42.05 98.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.637 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -55.86 -43.66 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.436 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.52 -43.99 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -76.67 -19.63 57.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 67.58 28.77 7.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.86 -39.01 77.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.052 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.83 -169.32 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -138.97 156.95 46.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.789 0.436 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -45.97 -26.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.21 -52.32 24.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.7 -48.43 66.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpt -47.45 -33.91 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -72.67 -36.04 67.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -51.85 -52.7 47.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 t -69.9 -45.25 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.644 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -52.97 -31.79 42.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.582 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.96 -26.68 6.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 51.45 98.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -76.09 -71.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 49' ' ' THR . 25.0 t0 -160.66 -141.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 50' ' ' VAL . 88.7 m -42.84 158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.508 ' N ' HG22 ' A' ' 49' ' ' THR . 42.8 t -46.87 -41.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.758 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtp -45.49 -33.95 2.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.825 0.345 . . . . 0.0 111.02 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.72 -50.72 7.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.498 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 9.2 mtmp? -60.62 -24.13 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.461 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.45 -55.32 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -44.55 -40.29 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.0 m -75.4 -41.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.534 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -63.02 -50.73 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 tt -62.35 -35.79 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.404 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -71.26 -59.52 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.59 -41.68 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 57' ' ' LEU . 74.4 t -60.62 -68.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.668 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -43.84 -35.75 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -54.41 -39.09 64.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -75.98 27.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.91 172.62 39.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.406 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.05 -10.66 23.0 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.829 2.353 . . . . 0.0 111.875 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -61.34 -29.45 69.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -79.18 -41.49 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.2 p -42.42 -35.4 1.02 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.194 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 m -57.44 -65.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -56.62 -32.32 65.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.26 -34.15 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.456 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.96 -58.99 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 4.3 m-70 -55.2 -39.1 69.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.12 -38.68 92.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 97.6 m -56.99 -45.47 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.573 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.16 -25.73 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.745 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -81.48 -33.06 32.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.472 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -150.31 103.76 3.12 Favored Pre-proline 0 N--CA 1.471 0.578 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.913 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.58 -14.88 10.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.423 1.416 . . . . 0.0 111.874 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -65.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.358 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 85' ' ' SER . 18.2 tp -61.39 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.072 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.06 -6.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.9 t -66.1 -45.06 82.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.304 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -79.77 3.26 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.359 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 41.6 mmm . . . . . 0 N--CA 1.473 0.688 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.235 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.66 -45.33 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.2 mm? -56.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt-85 -39.33 -53.11 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.635 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -65.36 -49.84 67.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -84.13 17.2 2.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.4 ttp85 -66.87 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -77.44 -29.29 52.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.4 mt -75.96 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.979 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -57.77 -56.03 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.282 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.6 tt -48.39 -49.95 12.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.341 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.557 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.8 m80 -92.34 55.65 2.59 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -167.26 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 0.0 111.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -42.29 122.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.25 142.97 22.56 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.578 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.72 -28.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 0.0 111.692 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -75.72 -62.19 2.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.757 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -45.48 -34.71 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 88.8 mt -53.63 -52.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.718 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -61.52 -40.15 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.489 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -26.75 60.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.2 tm? -74.2 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.23 -31.27 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.87 -48.45 80.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -59.77 -42.84 94.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.33 -44.5 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 35.2 mt -60.69 -41.03 94.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.52 -42.13 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.002 0.43 . . . . 0.0 110.148 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.31 -17.9 44.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.348 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.7 mt-10 65.33 38.58 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.21 -40.31 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -89.05 155.39 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.865 0.364 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' ASP . 55.2 m -95.09 145.83 24.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -41.2 -33.24 0.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.928 0.394 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.299 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -66.84 -50.03 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 ttt -47.91 -33.6 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.459 . . . . 0.0 109.783 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -69.8 -36.28 75.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.504 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.11 -46.48 68.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.922 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 tpt85 -58.25 -11.03 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.046 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.49 -19.35 47.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 52.41 80.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -74.8 -62.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 49' ' ' THR . 16.6 t70 -160.71 -140.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.48 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 41.2 p -60.3 175.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.418 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 49.5 t -52.25 -32.46 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.45 -43.66 55.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.29 . . . . 0.0 111.191 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.6 -43.05 21.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 42.5 mttp -58.73 -36.34 74.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.244 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.61 -44.99 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -50.88 -43.56 59.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.8 m -78.17 -46.58 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.511 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.7 tp -52.82 -52.28 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.047 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 tt -65.05 -32.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.44 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.28 -51.61 43.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.411 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.13 -49.79 50.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.001 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.3 t -49.97 -59.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -56.87 -28.21 61.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -64.71 -39.85 96.99 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 27.4 mmtm -77.27 28.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.755 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.8 170.98 39.12 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.9 Cg_endo -75.06 -10.82 21.28 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.801 2.334 . . . . 0.0 111.92 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -29.24 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -77.16 -36.28 55.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 3.4 p -44.34 -45.15 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.39 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.482 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m -54.42 -54.86 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 53.4 mtmt -69.18 -19.11 63.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.388 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -75.34 -53.2 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.14 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.0 mt -61.33 -37.25 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.428 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -67.26 -48.56 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.307 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.5 m-70 -64.52 -46.95 80.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.38 -33.79 68.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.57 -52.52 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.513 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.604 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -90.83 -30.69 16.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.806 0.336 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -150.15 99.16 3.26 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 -14.76 9.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.466 1.444 . . . . 0.0 111.992 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -71.92 -62.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.8 -48.6 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -14.87 0.64 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -54.11 -35.3 62.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.517 . . . . 0.0 109.728 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 1.8 mptp? -86.79 -35.98 18.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.158 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 N--CA 1.469 0.492 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.622 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.989 0.424 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -41.73 -56.28 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.5 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -52.78 -60.84 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -64.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.753 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.37 -41.3 96.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -85.1 12.55 7.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.88 -48.51 81.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -59.83 -26.22 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.54 -72.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.514 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -45.27 -53.58 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.486 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.544 HG23 ' N ' ' A' ' 15' ' ' HIS . 8.2 tt -51.6 -50.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.576 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.2 m80 -97.17 52.96 1.16 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.61 0.364 . . . . 0.0 111.028 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.1 m -167.63 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.4 p -42.05 126.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.475 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.01 140.66 20.98 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.74 -27.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.383 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -62.38 3.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.691 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.7 m -44.39 -36.32 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.564 0.221 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG21 ' HZ3' ' A' ' 53' ' ' LYS . 74.1 mt -55.02 -48.37 75.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.68 -39.74 92.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.875 0.369 . . . . 0.0 111.195 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 -26.58 55.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.526 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -75.31 -57.79 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.419 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.14 -35.95 70.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.754 0.311 . . . . 0.0 110.744 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.3 -44.56 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -62.32 -43.22 99.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -49.39 -47.08 48.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.8 mt -57.39 -43.36 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.381 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.63 -45.42 13.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 10.1 m-20 -79.03 -19.29 51.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LEU . 9.7 mt-10 66.14 34.22 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.38 -40.59 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.9 pt -89.14 156.24 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.316 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.2 t -99.7 153.75 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -46.49 -27.36 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -70.14 -39.25 75.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.17 0.51 . . . . 0.0 110.129 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 60' ' ' LEU . 1.2 m-20 -73.92 -55.13 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.991 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -48.01 -29.45 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.101 0.477 . . . . 0.0 109.891 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -72.23 -39.33 68.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -55.57 -50.34 70.31 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -70.47 -46.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -59.53 -21.85 60.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 110.651 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.3 -17.88 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 53.8 93.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.8 -59.24 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.3 t70 -162.23 -140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.461 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 9.3 t -62.06 -175.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.354 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 49' ' ' THR . 51.7 t -58.99 -33.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.167 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -56.89 -39.03 73.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.57 -36.28 22.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.666 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HZ3' HG21 ' A' ' 22' ' ' ILE . 6.9 mtpm? -69.81 -35.36 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 -38.94 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -55.69 -41.2 73.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.023 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.71 -42.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.513 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.1 tp -60.96 -48.34 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.215 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.75 -34.62 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.455 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.49 -56.3 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 39' ' ' ASP . 16.1 mt -43.31 -50.94 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 57' ' ' LEU . 86.7 t -51.81 -59.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 m -56.78 -17.82 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -71.2 -38.16 63.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -77.31 29.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.44 171.39 41.33 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.448 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 Cg_endo -73.57 -2.39 12.1 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.792 2.328 . . . . 0.0 111.9 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -28.65 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.24 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -81.35 -32.52 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 2.7 p -47.73 -35.93 10.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.04 -71.77 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 32' ' ' ASP . 30.5 mtpt -48.1 -26.53 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.174 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.54 -42.42 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.425 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.63 -35.14 68.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.137 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' A' ' 74' ' ' LYS . 1.2 mptm? -75.0 -42.76 56.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.79 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 5.0 m-70 -65.1 -39.5 93.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.96 -30.89 70.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.18 -52.73 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.536 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.07 -19.77 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.811 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -87.36 -37.74 16.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -150.6 77.35 7.98 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-O 120.683 0.278 . . . . 0.0 111.385 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.21 -23.02 12.28 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.662 2.241 . . . . 0.0 112.251 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -74.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.79 -35.65 61.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.19 -11.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 t -64.32 -48.62 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.101 0.476 . . . . 0.0 110.122 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' ' HE3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -85.4 6.27 27.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.7 mtp . . . . . 0 N--CA 1.469 0.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.591 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.06 -64.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.86 -56.52 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -35.75 -63.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.123 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.467 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -88.4 23.75 2.11 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.97 -29.99 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -75.46 -27.82 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.199 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.18 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.461 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -50.84 -56.88 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.292 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 15' ' ' HIS . 15.4 tt -47.85 -51.53 8.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.277 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.594 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.1 m80 -92.48 52.04 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -164.65 -55.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.1 p -42.87 123.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.89 142.21 21.44 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.64 -33.84 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.743 0.306 . . . . 0.0 111.732 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -63.17 3.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -45.19 -42.13 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.315 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 50' ' ' VAL . 85.6 mt -45.97 -51.88 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.698 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -60.31 -42.54 95.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.438 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.19 -23.34 59.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.733 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -77.51 -59.21 2.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.57 -31.88 62.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -61.65 -50.33 72.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.48 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 6.3 p -56.84 -39.89 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 64.1 mt -51.9 -47.47 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.97 -43.7 73.72 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -48.02 -42.0 27.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -77.08 -18.66 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.9 33.22 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.8 -43.79 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.83 -169.21 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.446 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' GLU . 15.8 m -144.0 151.01 39.15 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.749 0.419 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -36.93 -28.31 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.758 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' SER . 80.0 mm-40 -69.67 -54.4 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -66.33 -46.46 76.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.244 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 40' ' ' MET . 1.0 OUTLIER -48.42 -33.96 10.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.13 179.521 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 2.8 m120 -70.64 -38.47 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -48.26 -48.94 35.11 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.934 0.397 . . . . 0.0 110.174 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.69 -49.48 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.094 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -3.8 3.28 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.47 -11.55 59.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 57.19 76.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -69.19 -78.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.97 -140.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 50' ' ' VAL . 23.9 m -53.67 159.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 22' ' ' ILE . 55.8 t -45.97 -25.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.2 -39.49 90.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.53 -36.79 21.93 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.661 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 8.0 mtmp? -73.03 -34.34 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.1 -34.46 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 73.7 ttt-85 -61.79 -38.64 88.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -78.33 -42.66 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.67 -51.45 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 111.198 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.4 tt -64.4 -36.19 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.521 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.98 -56.69 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.519 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.43 -49.02 36.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.276 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.3 -59.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.178 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -57.96 -18.38 23.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.363 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.8 -36.3 37.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.66 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -79.93 31.25 0.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 167.94 41.91 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.798 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.2 Cg_endo -75.99 -16.09 18.26 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.964 2.443 . . . . 0.0 112.14 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -58.49 -23.8 58.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -79.4 -37.1 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.9 p -46.89 -45.98 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 98.8 m -52.3 -60.21 3.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.29 -34.18 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -61.91 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.82 -31.03 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' CYS . 91.2 mttt -73.23 -67.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.337 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 80.4 m-70 -44.14 -30.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.51 -35.08 63.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' LYS . 89.9 m -57.83 -45.27 86.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.635 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.57 -25.56 41.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.975 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -82.88 -30.99 28.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -150.08 101.02 3.2 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.88 -11.28 11.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.366 1.378 . . . . 0.0 111.851 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -76.19 -64.37 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' C ' ' N ' ' A' ' 85' ' ' SER . 5.9 tp -63.69 -46.88 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 109.773 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.76 -12.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.543 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 83' ' ' LEU . 18.2 t -65.2 -45.4 84.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.989 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.63 12.94 2.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 19.8 mtp . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.94 0.4 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.65 -68.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.238 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -42.49 -53.48 4.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 111.061 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -57.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.0 -40.05 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.388 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.91 15.19 3.48 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.3 ttp85 -66.19 -39.41 89.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.37 -26.05 58.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.13 -69.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.185 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -48.44 -54.24 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.311 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.9 tt -51.16 -50.05 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.497 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.8 m170 -91.28 53.04 2.22 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.496 0.318 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -170.3 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.307 . . . . 0.0 111.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -56.57 124.26 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.394 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.17 145.84 23.5 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.577 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 -30.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.25 -63.97 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -42.12 -36.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.577 0.227 . . . . 0.0 111.417 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.521 HD11 HG13 ' A' ' 50' ' ' VAL . 78.2 mt -53.74 -56.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.003 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -54.96 -40.13 69.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.785 0.326 . . . . 0.0 111.312 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.8 -27.37 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.578 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.18 -58.07 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.257 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.26 -28.56 65.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.0 0.428 . . . . 0.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.75 -48.47 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.336 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 5.8 t -59.99 -44.19 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -47.54 -47.94 27.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.89 -45.28 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.31 -38.57 28.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.79 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.68 -19.7 54.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 66.04 31.15 9.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.75 -41.8 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.32 -168.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 m -145.92 159.23 43.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.939 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -43.29 -27.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.987 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.98 -52.37 29.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.29 -51.37 37.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.32 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.5 tpt -46.14 -31.18 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -75.08 -39.53 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.627 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -51.99 -48.05 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.053 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.17 -49.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.475 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -16.7 36.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -62.73 -17.34 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 56.25 88.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -75.96 -61.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -160.15 -141.54 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 50' ' ' VAL . 24.7 m -65.79 167.65 9.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.59 ' N ' HG22 ' A' ' 49' ' ' THR . 53.7 t -42.39 -46.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -43.77 -38.11 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.168 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -84.13 -45.65 12.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.693 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -63.37 -23.4 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.75 0.31 . . . . 0.0 111.434 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.07 -54.97 4.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -44.73 -40.63 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 57' ' ' LEU . 26.1 m -76.53 -40.63 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.491 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 11.2 tp -61.48 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -68.74 -27.21 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.428 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.94 -43.9 28.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.66 -42.28 83.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.4 -57.2 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -55.39 -12.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.17 -47.89 68.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.585 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 1.6 mptp? -76.38 28.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 110.776 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.1 177.81 48.31 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.624 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 90.0 Cg_endo -74.15 -5.14 16.52 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.81 2.34 . . . . 0.0 111.949 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.31 -42.81 99.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.329 0.585 . . . . 0.0 109.519 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -64.53 -36.05 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.388 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 1.2 p -42.07 -37.95 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.4 m -54.49 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 59.7 mmtt -58.84 -27.78 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -70.58 -54.0 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.316 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.02 -41.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.49 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -68.21 -56.61 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.583 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 6.5 m-70 -54.1 -29.9 46.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.5 tp -74.21 -32.87 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.7 -47.46 84.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.2 pp20? -77.37 -23.9 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 60.0 mm-40 -83.16 -34.58 25.96 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -146.2 105.39 4.11 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.954 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.05 -17.14 9.53 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 121.354 1.37 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 83' ' ' LEU . 5.8 tm0? -73.68 -72.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.2 tp -53.01 -41.94 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 109.971 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.52 -9.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.825 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' LEU . 41.9 t -65.96 -48.15 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.924 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -81.67 13.47 3.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.037 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.6 mtp . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -53.87 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.0 mm? -41.68 -33.47 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.253 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.27 -62.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -72.27 10.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.269 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' ARG . 20.6 mmmt -139.42 11.64 2.54 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.756 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.618 ' NH2' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -67.4 -29.73 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.202 179.411 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -76.34 -32.4 58.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.69 -60.64 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.295 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.33 -57.94 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 111.016 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 15' ' ' HIS . 18.7 tt -49.48 -50.73 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.384 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.604 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.2 m80 -88.76 54.78 3.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -170.21 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 111.24 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.7 p -40.43 124.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.535 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.18 146.66 24.03 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.19 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.95 -60.36 2.94 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.611 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.0 m -43.84 -35.83 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.6 0.238 . . . . 0.0 111.374 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 HG13 ' A' ' 50' ' ' VAL . 74.6 mt -53.9 -60.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.047 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -52.89 -38.24 61.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.5 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -28.36 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.542 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.2 -58.15 3.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.258 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.94 -28.1 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.759 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -63.63 -46.11 87.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.28 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HG ' ' CE1' ' A' ' 75' ' ' HIS . 11.2 t -63.59 -42.57 98.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.885 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.3 mt -49.34 -49.1 45.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.613 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.8 mt -55.39 -43.59 75.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.394 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -46.65 -42.45 16.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.08 -18.59 49.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' LEU . 28.2 mt-10 65.84 35.19 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.48 -42.23 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 pt -88.93 156.75 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.77 0.319 . . . . 0.0 110.2 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' ASP . 14.6 p -96.23 150.28 20.71 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.978 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -46.53 -23.08 0.34 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.17 -42.58 55.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' SER . 14.3 m-20 -71.65 -46.02 60.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.7 tpt -51.02 -35.2 32.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.702 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.474 ' N ' HD22 ' A' ' 41' ' ' ASN . 1.9 m120 -68.61 -36.95 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.551 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.47 -49.38 61.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.31 -38.92 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -72.0 -10.39 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.26 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.49 -10.79 54.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 54.19 89.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.207 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -78.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' THR . 29.4 t0 -161.73 -140.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.723 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 78.8 p -63.54 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG13 HD11 ' A' ' 22' ' ' ILE . 52.9 t -63.98 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -53.12 -34.39 56.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.996 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -87.31 -41.69 13.46 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 111.224 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.4 -53.17 7.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NE ' ' NH2' ' A' ' 10' ' ' ARG . 34.3 tpt85 -42.7 -45.18 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.228 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 57' ' ' LEU . 23.4 m -76.35 -39.7 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.752 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 56' ' ' VAL . 7.1 tp -58.16 -58.05 10.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.65 -34.41 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -67.61 -54.81 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.96 -55.12 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -45.8 -54.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -58.29 -28.05 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -69.45 -34.74 74.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 29.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.69 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 80.54 166.3 34.52 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.6 Cg_endo -74.11 -15.31 23.19 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.824 2.35 . . . . 0.0 111.925 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -58.79 -27.17 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.1 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 t -76.85 -39.98 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.986 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -43.72 -39.44 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.87 -64.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 68.1 mttt -51.65 -38.38 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -57.55 -56.06 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 68.1 mt -54.57 -32.87 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -74.88 -50.13 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.31 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 75' ' ' HIS . 13.8 m170 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.51 -37.94 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 68.3 m -60.7 -38.74 86.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.048 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -79.61 -26.96 41.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.562 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.09 -55.35 5.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.793 0.33 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.68 106.69 26.38 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.358 0.663 . . . . 0.0 110.503 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -81.09 -20.3 7.49 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.317 1.345 . . . . 0.0 112.094 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -66.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.4 tp -59.6 -43.18 93.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.311 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 83' ' ' LEU . 38.4 t -61.2 -42.38 98.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -86.26 -18.29 32.47 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.41 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.7 mtp . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 123.205 0.602 . . . . 0.0 110.708 -179.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.03 -51.56 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -52.14 -59.29 4.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 110.968 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -38.0 -57.08 1.08 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -67.86 -45.41 74.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.833 0.349 . . . . 0.0 111.2 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 12' ' ' ILE . 63.2 mmtt -81.86 13.96 2.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' ILE . 23.9 ttp-105 -64.98 -36.93 85.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -78.02 -31.04 50.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 9' ' ' LYS . 98.4 mt -75.33 -57.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.354 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.73 -57.8 10.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 15' ' ' HIS . 7.9 tt -47.26 -51.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.6 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.8 m80 -89.39 53.92 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 m -167.85 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.208 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.0 p -41.19 122.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.358 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.66 143.45 22.49 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.47 -24.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.735 0.303 . . . . 0.0 111.474 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.96 -62.13 2.41 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.775 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -45.47 -34.43 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 0.0 111.454 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 50' ' ' VAL . 87.1 mt -53.69 -59.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -55.46 -37.26 67.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.37 -27.36 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 111.424 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -74.54 -59.2 2.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.76 -29.16 67.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -62.57 -44.35 96.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -64.83 -42.71 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.826 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -51.23 -46.47 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' GLU . 58.9 mt -56.71 -44.57 81.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.346 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -45.64 -45.84 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.727 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.4 -17.7 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.512 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' LEU . 14.1 mt-10 66.06 34.87 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.36 -41.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 pt -89.2 155.9 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.797 0.332 . . . . 0.0 110.378 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ASP . 62.3 m -96.78 150.94 20.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -45.73 -32.3 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.23 -38.03 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' SER . 58.6 m-20 -73.58 -52.76 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.311 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.5 tpt -48.14 -31.14 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.0 109.881 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ASP . 43.4 m-20 -71.64 -39.82 70.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.578 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -48.32 37.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 t -70.72 -45.08 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.25 -0.97 27.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ASN . 17.6 t70 -64.9 -6.76 9.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.99 72.09 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -77.25 -75.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.74 -141.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -64.72 -168.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 55.5 t -64.74 -34.67 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -36.5 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.15 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -86.83 -40.41 14.95 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.667 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -68.61 -29.7 68.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 111.278 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.8 -54.11 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -43.0 -45.08 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 57' ' ' LEU . 19.9 m -72.81 -49.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.0 tp -46.77 -55.62 7.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.145 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.56 -29.28 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -68.63 -43.72 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -55.45 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.64 -53.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -35.71 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.307 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -59.34 -39.09 94.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 29.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.72 169.25 35.74 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.601 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.6 Cg_endo -74.82 -12.52 21.92 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.853 2.368 . . . . 0.0 111.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -59.62 -25.23 64.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -81.14 -28.26 35.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.3 p -54.15 -39.91 66.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 95.6 m -56.67 -65.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.4 mttt -57.52 -31.46 66.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.69 -51.37 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.8 mt -62.69 -34.48 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.346 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.09 -42.97 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.536 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 39.5 m-70 -69.26 -52.6 26.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.34 -33.61 13.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.9 m -63.31 -61.77 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.21 -2.55 2.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.558 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -104.62 -37.45 7.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.713 0.405 . . . . 0.0 111.614 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -150.4 77.49 8.09 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-O 120.758 0.313 . . . . 0.0 111.496 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.97 -26.26 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -69.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.07 -36.29 83.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.56 . . . . 0.0 110.466 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.3 -18.01 46.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 p -57.39 -37.32 72.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.22 -31.08 23.37 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.067 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.0 mtp . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.329 179.702 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.23 -56.28 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.607 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -49.34 -59.25 3.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.687 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -55.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.319 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.5 -48.32 78.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -81.87 10.95 5.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.8 tmt_? -60.57 -37.49 81.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.74 -28.59 55.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -78.01 -68.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -46.06 -50.41 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.483 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -56.93 -49.52 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.571 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.7 m170 -93.68 56.71 2.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.546 0.339 . . . . 0.0 111.182 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.6 m -172.09 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.1 133.45 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.599 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.66 151.72 21.06 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.92 -18.92 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.03 -62.67 2.3 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 m -47.24 -37.38 10.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.611 0.243 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 HG13 ' A' ' 50' ' ' VAL . 65.3 mt -53.0 -56.69 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.917 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -55.0 -40.55 70.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.769 0.318 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB1' ' OE2' ' A' ' 79' ' ' GLU . . . -75.36 -26.72 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.688 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.4 tm? -75.83 -58.2 3.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.87 -31.45 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.11 -43.88 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.225 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.581 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 10.2 t -62.36 -42.9 99.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.551 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -48.63 -45.48 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.93 -40.72 89.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.242 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.78 -45.61 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.407 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 6.1 m-20 -80.89 -17.2 51.43 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.395 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 64.97 38.07 6.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.4 -39.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.4 pt -89.02 154.57 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' ASP . 64.6 m -97.93 149.75 22.07 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.369 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -41.86 -31.67 0.34 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.42 -41.82 79.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.396 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 m-20 -72.19 -43.02 65.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.237 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 ttt -55.81 -25.37 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -76.94 -39.88 49.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.048 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -51.09 51.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.948 0.404 . . . . 0.0 109.996 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.37 -52.58 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.689 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -55.22 -10.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.462 . . . . 0.0 111.021 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.17 -16.17 61.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.697 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.65 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -73.68 -81.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 49' ' ' THR . 28.1 p30 -161.85 -138.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 10.6 p -40.38 165.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.613 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 22' ' ' ILE . 41.1 t -61.27 -39.85 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpp? -44.81 -38.74 4.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.148 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.46 -49.46 10.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.501 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -56.8 -31.04 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.423 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -46.97 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.87 -37.94 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.749 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.53 -46.84 81.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.433 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.1 tt -69.37 -28.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.749 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -71.73 -43.93 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD22 ' OD2' ' A' ' 39' ' ' ASP . 12.0 mt -58.3 -48.81 79.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.57 -60.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -52.97 -42.15 65.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -52.58 -37.72 50.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.503 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.51 28.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.787 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.02 170.41 35.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.533 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.2 Cg_endo -74.86 -10.58 21.52 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.85 2.367 . . . . 0.0 112.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -80.52 -32.88 36.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.1 p -50.1 -46.38 53.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.518 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 36.6 t -53.63 -61.9 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.194 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.18 -36.44 75.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -58.13 -51.21 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.76 -30.15 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.384 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -72.76 -47.14 49.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.581 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 40.1 m-70 -65.62 -40.7 92.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 tp -60.71 -32.89 72.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.82 -54.66 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.433 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.95 -13.0 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.741 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' OE2' ' HB1' ' A' ' 24' ' ' ALA . 52.4 mm-40 -93.1 -38.84 11.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.33 76.97 8.33 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 120.756 0.312 . . . . 0.0 111.432 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.98 -19.69 6.03 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.68 2.254 . . . . 0.0 112.077 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -69.45 -75.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.634 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.4 tp -53.7 -39.23 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.598 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.47 -9.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.811 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.5 t -65.94 -49.0 69.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.087 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -83.71 11.14 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.173 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.1 mtp . . . . . 0 N--CA 1.468 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.395 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.962 0.411 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -65.49 -77.71 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.656 -179.27 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.5 mm? -45.51 -60.04 2.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 110.866 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.79 -55.56 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.861 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.74 -48.6 65.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.729 0.299 . . . . 0.0 111.353 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -87.78 24.06 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 48.3 ttt-85 -76.86 -52.56 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.003 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -45.36 -29.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.26 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -78.63 -64.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.492 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -44.5 -53.3 7.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 15' ' ' HIS . 11.0 tt -56.34 -50.2 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.586 ' N ' HG23 ' A' ' 14' ' ' ILE . 45.6 m80 -88.62 52.28 2.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 m -170.29 -57.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.721 0.296 . . . . 0.0 111.419 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -37.15 130.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.884 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.36 149.63 22.08 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.681 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.45 10.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 111.395 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.96 -46.28 17.41 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.9 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -57.73 -35.84 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.577 0.227 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.52 HD11 HG13 ' A' ' 50' ' ' VAL . 72.5 mt -53.04 -61.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 110.981 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.22 -40.43 47.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.232 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.6 59.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.587 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.405 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.19 -27.16 65.44 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -67.68 -42.32 82.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.288 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.8 t -65.05 -42.98 93.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.719 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -50.93 -44.55 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.6 mt -57.94 -44.61 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.31 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -46.32 -44.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.37 -17.57 56.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.634 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 32.7 mt-10 64.76 34.34 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.37 -41.71 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.17 155.76 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.895 0.378 . . . . 0.0 110.354 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' ASP . 43.1 m -95.08 150.0 20.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -44.42 -31.67 1.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.19 -39.87 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 36.9 m-20 -70.05 -52.24 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.345 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.0 tpt -47.08 -33.96 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -70.95 -36.91 72.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.739 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -51.65 -48.59 63.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.35 -52.33 27.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.017 0.437 . . . . 0.0 110.719 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -19.97 2.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.453 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 52.2 t0 -59.35 -15.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 47.35 80.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 11.8 p30 -70.23 -44.85 67.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 20.8 t70 -171.52 -139.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.447 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 67.3 p -66.75 -170.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.38 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 22' ' ' ILE . 48.8 t -62.27 -51.62 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.062 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -42.9 -35.76 1.3 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.458 -179.499 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.62 -44.5 11.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.592 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.83 -21.95 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.208 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.38 -52.12 6.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -44.57 -41.54 6.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG23 ' N ' ' A' ' 57' ' ' LEU . 34.3 m -76.57 -46.24 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.484 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.2 tp -53.24 -55.34 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 tt -61.73 -31.54 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.33 -51.82 47.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.64 -44.21 62.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG21 ' CD2' ' A' ' 72' ' ' PHE . 59.6 t -55.88 -64.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -51.77 -24.32 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.268 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.83 -41.94 93.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -78.48 30.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.899 0.381 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.53 171.22 41.25 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.685 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.4 Cg_endo -74.93 -14.13 21.4 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.871 2.381 . . . . 0.0 112.022 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.22 -24.93 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 110.434 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -81.8 -25.65 35.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 6.1 p -51.76 -45.14 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 20.4 m -54.95 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.5 mmtt -55.03 -31.16 60.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 61' ' ' VAL . 59.1 t80 -70.23 -72.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.1 mt -43.75 -39.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 -60.99 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m-70 -48.73 -28.65 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.1 tp -75.84 -31.87 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 56.1 m -60.09 -46.66 88.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.538 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.75 -25.24 53.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.681 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -83.61 -30.99 26.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.383 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -150.31 101.34 3.15 Favored Pre-proline 0 N--CA 1.47 0.537 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -82.11 -20.58 6.14 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.46 1.44 . . . . 0.0 111.969 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -68.62 -59.36 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.73 -52.62 56.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.2 -20.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 t -53.5 -35.63 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 109.771 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -84.22 -38.5 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.253 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 27.6 mtp . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.476 179.743 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.58 -56.54 13.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -50.98 -59.37 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -36.79 -65.02 0.31 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.95 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -64.18 -41.9 96.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.0 11.72 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -65.53 -46.27 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.975 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -65.73 -30.78 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.334 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.21 -57.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.491 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.63 -51.54 69.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.311 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.8 tt -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.597 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.9 m80 -90.89 53.68 2.46 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.012 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -167.27 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.07 121.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.462 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.33 145.27 24.08 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.624 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -43.33 -22.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 111.37 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.49 -61.51 2.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.824 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -48.43 -35.77 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.295 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 89.1 mt -51.59 -61.85 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -51.0 -39.09 54.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.43 51.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 111.507 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.69 -58.76 3.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.343 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.1 pp -59.26 -36.08 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.827 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' N ' HD12 ' A' ' 26' ' ' LEU . 38.9 t70 -57.85 -45.06 86.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -62.57 -42.67 99.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -49.37 -44.9 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 35' ' ' ILE . 7.6 mp -59.99 -42.51 94.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -46.7 -40.67 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.49 -19.82 45.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.4 mt-10 67.8 34.05 4.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.85 -46.29 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 HD12 ' A' ' 30' ' ' LEU . 11.3 pt -89.4 156.39 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.901 0.382 . . . . 0.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' ASP . 44.6 m -99.32 150.83 21.72 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -42.18 -30.48 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.72 -44.8 69.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' SER . 19.0 m-20 -68.05 -46.78 70.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.963 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.2 tpt -49.91 -35.13 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.772 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -66.96 -39.11 87.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.663 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.03 -48.59 52.67 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.098 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.76 -50.79 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.842 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -11.08 4.22 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.698 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.66 -13.32 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 44.22 73.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -63.47 -72.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.491 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 25.8 t0 -159.81 -141.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.486 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 7.6 m -45.96 158.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 50.7 t -47.25 -42.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -44.02 -32.79 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.83 -54.32 4.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 36.8 mttp -54.16 -32.53 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.04 32.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.372 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.1 -44.5 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 57' ' ' LEU . 24.5 m -77.06 -45.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.628 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.5 tp -49.25 -57.75 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 111.27 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 tt -64.13 -32.83 58.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.455 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.3 -52.66 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -47.39 -55.83 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -58.83 -25.96 63.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.384 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -70.57 -39.12 68.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.603 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -78.8 30.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 110.754 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.85 167.22 34.69 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.665 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 Cg_endo -75.43 -15.66 19.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.958 2.439 . . . . 0.0 112.032 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -57.23 -25.81 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.536 . . . . 0.0 109.903 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -78.15 -25.99 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.911 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.5 p -54.16 -49.63 68.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.185 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.552 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 64.2 m -46.41 -53.26 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.64 -27.22 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.377 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.66 -38.75 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.96 -33.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.29 -42.69 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m-70 -66.96 -42.47 85.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.01 -30.93 71.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.2 -58.21 8.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.8 pp20? -66.82 -14.23 62.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.764 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.93 -49.76 6.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -138.12 78.48 34.34 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 122.7 0.4 . . . . 0.0 111.522 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.19 -23.91 10.5 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.586 2.191 . . . . 0.0 111.941 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.88 -73.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.91 -30.22 61.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 0.0 110.299 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -13.14 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.548 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 p -62.85 -44.59 95.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.976 0.417 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -84.62 -14.81 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 123.204 0.601 . . . . 0.0 110.424 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -44.12 -56.8 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.633 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.9 mm? -50.77 -59.78 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 111.071 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.94 -64.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.596 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -59.86 -42.76 94.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.338 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HD2' HD12 ' A' ' 12' ' ' ILE . 30.5 mmtp -85.12 12.01 8.64 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.163 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 6' ' ' LEU . 35.5 ttp180 -62.43 -35.16 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.076 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -77.22 -28.32 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.366 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' HD2' ' A' ' 9' ' ' LYS . 62.7 mt -74.71 -68.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -51.07 -50.12 59.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.657 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 15' ' ' HIS . 9.7 tt -55.36 -50.39 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.4 m80 -89.73 55.72 3.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.257 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.09 121.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.513 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -88.13 138.42 15.04 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -34.39 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -72.61 -49.18 19.75 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.672 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 m -63.26 -36.45 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.609 HD11 HG13 ' A' ' 50' ' ' VAL . 9.4 mt -51.31 -62.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 111.263 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -52.7 -39.43 61.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.516 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.6 -28.03 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.404 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.483 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -72.52 -59.02 2.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.181 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.67 -32.43 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.43 -50.91 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 6.2 t -59.76 -41.28 90.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.76 -48.64 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.15 -42.02 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -47.95 -43.49 29.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.94 -18.66 53.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.443 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 65.4 34.86 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.92 -39.8 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.98 154.9 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.838 0.351 . . . . 0.0 110.668 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.0 t -91.45 148.06 22.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -46.06 -28.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.471 . . . . 0.0 110.058 179.232 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.03 -37.81 69.68 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 68.0 m-20 -71.63 -49.18 42.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tpt -49.16 -33.8 13.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 0.0 109.921 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -69.69 -38.24 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.61 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -50.74 -48.51 59.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.69 -47.86 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -53.18 -29.92 34.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.774 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -52.34 -19.6 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 43.95 79.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.984 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -59.26 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 49' ' ' THR . 34.8 t0 -160.34 -141.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 68.3 p -52.42 -168.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 22' ' ' ILE . 55.0 t -72.34 -23.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.8 mpp? -61.32 -42.99 99.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.322 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -80.84 -37.49 29.89 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.538 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.96 -41.72 77.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -74.55 -25.72 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -64.95 -48.39 74.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 57' ' ' LEU . 18.8 m -74.43 -46.64 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.437 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.2 tp -45.89 -52.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.32 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 19.7 tt -71.03 -26.02 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.205 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.7 -38.38 70.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.49 -44.48 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 72' ' ' PHE . 91.1 t -53.41 -61.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -48.95 -47.77 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.402 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -44.92 -42.95 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.786 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -77.17 28.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.01 170.78 36.51 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 98.3 Cg_endo -76.63 -13.64 18.04 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.91 2.407 . . . . 0.0 112.091 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.62 -24.65 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.329 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -80.47 -27.63 37.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 6.7 p -50.05 -50.63 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 13.4 m -45.47 -54.29 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 77.5 mttt -67.02 -25.96 66.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' A' ' 61' ' ' VAL . 56.3 t80 -73.41 -43.48 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.446 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.48 -31.78 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.337 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.18 -54.7 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -53.06 -30.49 36.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -74.08 -52.76 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.0 m -45.56 -28.27 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.363 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -80.31 -46.5 16.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.66 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -74.13 -52.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.622 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.28 97.96 51.36 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.181 0.592 . . . . 0.0 110.99 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -82.91 -13.49 9.22 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.587 1.524 . . . . 0.0 111.946 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -64.93 1.02 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.372 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.71 -44.91 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.152 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.32 -13.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t -54.18 -35.0 61.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 0.0 110.099 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.47 -36.94 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.466 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.727 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.35 -60.76 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.02 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -45.51 -54.97 6.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -40.12 -53.39 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.501 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.23 -43.88 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.448 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HD2' HD12 ' A' ' 12' ' ' ILE . 66.4 mmtt -80.97 7.28 11.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.078 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 26.6 ttp180 -58.29 -41.39 84.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.4 -27.26 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 9' ' ' LYS . 95.5 mt -76.59 -70.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -47.5 -50.99 22.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.572 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.612 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 3.1 tt -54.07 -50.24 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.685 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.561 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.9 m170 -93.41 55.09 2.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.456 0.302 . . . . 0.0 111.208 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -171.42 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 111.216 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.3 p -62.77 127.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.557 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.86 142.76 22.77 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.413 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.09 -28.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.362 . . . . 0.0 111.244 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -63.28 3.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.696 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -42.89 -39.92 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.596 0.236 . . . . 0.0 111.217 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.405 HD11 HG13 ' A' ' 50' ' ' VAL . 64.8 mt -50.21 -56.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.021 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -53.86 -42.77 68.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.35 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.692 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -76.72 -58.43 3.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.315 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.72 -30.22 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.76 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.2 -47.14 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.393 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 7.7 t -60.5 -41.72 94.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.68 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -50.12 -47.22 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.424 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.75 -41.97 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.132 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.84 -39.21 68.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.607 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.5 -18.29 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 65.71 29.8 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.5 -43.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.936 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 pt -89.4 155.55 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.464 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.5 m -103.09 155.13 18.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.975 0.51 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.514 ' NE2' ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -44.39 -29.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.62 -48.17 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.02 -49.39 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.7 tpt -47.16 -33.58 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 3.0 m120 -72.25 -35.68 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.799 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -52.71 -47.05 67.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.89 -53.77 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -52.02 -15.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.111 0.481 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 31.2 t70 -69.39 -1.38 8.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.423 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER 32.73 99.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.786 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -76.34 -66.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.754 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 33.6 t0 -162.56 -140.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 50' ' ' VAL . 10.2 m -54.11 162.98 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.216 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' THR . 42.7 t -42.38 -47.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.47 -37.91 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.7 0.286 . . . . 0.0 111.27 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -45.37 13.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.538 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -59.38 -29.89 68.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.251 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.07 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.362 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' ' CD1' ' A' ' 14' ' ' ILE . 13.4 tpp85 -42.21 -47.58 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.2 m -75.36 -47.19 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.847 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.524 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.4 tp -50.26 -57.7 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.223 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 tt -61.16 -32.88 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.98 -50.85 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.447 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.59 -38.23 66.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.51 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.222 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -57.57 -19.57 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.55 11.86 17.27 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -138.58 47.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.918 0.487 . . . . 0.0 110.579 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.89 162.78 3.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.572 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.4 Cg_endo -75.46 -8.64 19.69 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.67 2.247 . . . . 0.0 111.87 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -60.43 -24.36 65.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.046 0.45 . . . . 0.0 110.567 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -80.87 -35.31 32.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.8 p -49.3 -45.96 45.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.499 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 78.5 m -53.33 -60.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 67.0 mttt -61.56 -29.93 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.252 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -65.76 -53.54 39.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.38 -33.55 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.71 -58.5 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.24 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 27.4 m-70 -54.02 -31.56 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.973 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.83 -33.74 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.235 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.43 -46.47 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.66 -24.06 56.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.682 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.96 -34.85 26.35 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 111.643 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -149.95 108.07 3.24 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 119.232 -0.414 . . . . 0.0 110.975 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.65 -29.7 1.7 Allowed 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 121.442 1.428 . . . . 0.0 111.956 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.25 -62.52 1.82 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.38 -52.51 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.052 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -18.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.949 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -55.41 -36.56 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.859 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -80.92 -37.87 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.94 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 mtp . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.357 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 120.942 0.401 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.96 -59.57 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -48.19 -57.11 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 111.027 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -55.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.502 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.92 -44.27 77.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.9 mmtp -83.05 12.54 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.9 ttp180 -65.05 -34.33 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -78.0 -29.39 49.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.435 HD12 ' HD2' ' A' ' 9' ' ' LYS . 89.3 mt -76.41 -65.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -49.3 -53.59 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -53.23 -49.7 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.615 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.577 ' N ' HG23 ' A' ' 14' ' ' ILE . 37.4 m80 -91.21 52.76 2.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -167.67 -52.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.9 p -43.2 124.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.25 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.34 144.02 24.25 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -26.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -62.21 2.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.674 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 m -42.94 -37.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.533 0.206 . . . . 0.0 111.257 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.471 HD11 HG13 ' A' ' 50' ' ' VAL . 67.3 mt -52.01 -59.32 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.687 0.28 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -52.26 -40.9 62.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.35 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -25.62 56.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.2 tm? -77.48 -58.15 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.58 -28.59 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.718 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -66.43 -44.19 83.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.22 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -62.59 -43.22 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.676 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.0 mt -49.18 -46.58 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.352 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 80.1 mt -56.14 -44.07 78.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.333 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -45.76 -44.88 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.338 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -79.89 -17.98 51.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 25.7 mt-10 64.81 32.31 11.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 p -75.37 -39.23 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.476 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 pt -88.52 153.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 39' ' ' ASP . 13.9 m -89.93 148.73 22.95 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.559 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -46.82 -33.62 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.055 0.455 . . . . 0.0 110.335 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -70.13 -34.14 72.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.499 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 50.7 m-20 -72.05 -51.53 21.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.2 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 40' ' ' MET . 3.3 tmm? -49.24 -31.49 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.559 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 49.2 m-20 -68.69 -41.86 78.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -50.5 -48.21 57.03 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 t -70.73 -48.96 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.029 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -11.57 27.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.706 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.07 -12.2 53.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.786 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 50.8 82.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.57 -49.75 17.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.6 t0 -171.62 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 35.5 p -66.26 179.67 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 HD11 ' A' ' 22' ' ' ILE . 56.0 t -55.9 -33.81 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -40.56 72.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 111.133 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.81 -37.06 21.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.897 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -70.01 -32.53 70.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -79.13 -35.59 41.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -56.7 -43.8 80.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.4 m -76.06 -46.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.621 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.1 tp -49.19 -56.17 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.345 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 18.2 tt -60.96 -38.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.376 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.67 -56.83 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.172 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.8 mt -44.71 -46.58 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.94 -59.77 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.242 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -58.49 -19.96 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.0 13.84 12.84 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 38.4 mmtm -138.18 44.99 2.12 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.893 0.477 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.87 162.99 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.483 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.0 Cg_endo -74.73 -9.66 21.27 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.762 2.308 . . . . 0.0 111.812 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.37 -25.54 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.982 0.42 . . . . 0.0 110.484 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.56 -31.57 41.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.1 p -49.55 -37.7 28.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.13 -69.01 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.061 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.3 mttm -49.48 -26.42 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.59 -53.37 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.162 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.7 -32.25 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.441 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -74.29 -51.83 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -59.66 -31.36 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.108 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.8 -33.62 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -58.99 -47.61 84.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.612 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.47 -24.51 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.94 -30.68 26.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.838 0.352 . . . . 0.0 111.267 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -149.75 99.89 3.31 Favored Pre-proline 0 N--CA 1.469 0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.42 -13.12 9.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.47 1.446 . . . . 0.0 111.829 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.02 -63.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.09 -47.03 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.835 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.47 -15.32 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.868 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 t -55.09 -37.06 66.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.93 -35.35 24.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mtp . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.52 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.35 -60.55 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.865 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -48.39 -61.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.421 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -39.45 -50.8 2.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.768 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -70.07 -47.83 60.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -83.11 13.88 3.8 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.651 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.618 HH21 ' NH1' ' A' ' 55' ' ' ARG . 47.0 ttt-85 -61.06 -34.36 74.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -74.73 -26.63 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.282 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -77.71 -69.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.247 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -45.88 -51.37 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.461 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' N ' ' A' ' 15' ' ' HIS . 6.3 tt -55.41 -50.03 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.531 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.57 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.1 m170 -91.25 52.57 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 111.025 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -165.9 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' GLY . 5.8 p -44.12 166.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -146.22 147.24 18.07 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -33.96 -39.5 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.94 -56.17 26.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 m -65.09 -36.79 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.622 0.249 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 50' ' ' VAL . 82.7 mt -51.99 -59.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 111.409 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.523 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.46 -26.17 58.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.665 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.86 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.06 -26.72 64.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 110.612 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -65.37 -45.15 85.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.35 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.7 mt -49.93 -47.29 52.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.594 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 33' ' ' GLU . 54.0 mt -56.86 -43.57 81.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -45.62 -46.12 14.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.52 -18.06 55.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mt-10 65.95 34.18 7.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.95 -40.19 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 pt -89.18 156.02 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ASP . 58.7 m -97.83 151.05 20.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.517 ' NE2' ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -44.62 -31.76 1.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.67 -39.96 80.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.356 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 59.1 m-20 -71.56 -50.83 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 tpt -47.5 -32.33 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -72.81 -38.35 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -51.34 38.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.81 -49.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.516 ' NH1' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -57.39 -20.81 32.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.535 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -57.57 -19.3 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' OE2' ' NH1' ' A' ' 44' ' ' ARG . 46.5 mt-10 48.64 76.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -64.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -159.88 -141.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 50' ' ' VAL . 11.0 m -57.22 160.73 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.655 HG13 HD11 ' A' ' 22' ' ' ILE . 77.8 t -43.36 -26.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.569 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.35 -42.26 81.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -84.03 -38.82 20.4 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.602 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.13 -28.5 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.644 0.259 . . . . 0.0 111.243 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.02 -51.06 9.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH1' HH21 ' A' ' 10' ' ' ARG . 14.8 tpp85 -47.39 -42.42 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 57' ' ' LEU . 15.7 m -72.3 -51.49 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.368 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -47.62 -54.56 11.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.38 -24.8 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.513 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.96 -41.88 50.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.154 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.7 -40.75 93.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.71 -69.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -49.1 -17.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -78.53 -36.51 29.71 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.526 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 48.0 mmtt -77.65 29.56 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 67' ' ' LYS . . . 77.69 134.46 0.74 Allowed Glycine 0 CA--C 1.533 1.174 0 CA-C-O 118.921 -0.933 . . . . 0.0 112.342 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.0 Cg_exo -41.3 -16.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 CA-C-N 120.576 2.188 . . . . 0.0 113.196 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 65' ' ' GLY . 42.6 tttm -54.54 -26.53 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 110.537 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -82.55 -20.14 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.865 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.5 p -59.33 -39.42 83.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.431 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 m -54.26 -61.78 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.346 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 40.1 mttp -60.88 -27.75 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.361 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.81 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.2 mt -49.72 -36.03 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.63 -51.0 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.302 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.582 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.2 m-70 -59.87 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.11 -33.85 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.34 -49.47 77.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.756 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.91 -21.64 59.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.83 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 53.5 mm-40 -86.12 -31.91 21.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -147.65 98.85 3.86 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -82.45 -14.04 9.48 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.521 1.48 . . . . 0.0 111.963 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -71.99 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.283 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 85' ' ' SER . 4.3 tp -66.65 -49.5 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.797 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -13.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 83' ' ' LEU . 32.5 t -54.61 -35.58 63.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.992 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.15 -35.75 19.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.296 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.469 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.469 0.51 0 CA-C-O 120.989 0.424 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.53 -52.62 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.2 mm? -53.75 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.26 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -38.67 -54.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.704 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -66.12 -48.9 69.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.31 19.19 2.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.003 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 34.4 ttp85 -67.91 -38.05 82.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -74.28 -26.1 60.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -77.48 -68.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.29 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -46.01 -53.06 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.389 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.572 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.5 tt -53.6 -50.73 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.569 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.572 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.9 m80 -88.78 56.42 3.74 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -170.4 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.293 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -40.43 125.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.646 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.28 142.12 21.06 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.582 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -38.46 -39.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -63.77 3.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 m -42.67 -36.18 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 50' ' ' VAL . 92.1 mt -54.05 -52.11 39.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.71 0.29 . . . . 0.0 111.664 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -60.14 -40.15 88.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.404 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.55 -28.6 61.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.9 tm? -73.02 -58.59 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.317 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.1 -29.47 63.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.29 -51.71 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.265 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.743 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -59.11 -40.22 84.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.517 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 mt -55.82 -45.29 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.74 -38.18 66.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -58.14 -35.77 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.77 -18.05 62.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 66.48 27.11 9.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.019 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.46 -47.95 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 pt -90.99 155.3 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 120.947 0.404 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -104.17 164.7 11.54 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -48.48 -28.1 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.16 0.505 . . . . 0.0 109.799 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.89 -63.64 1.02 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.61 -44.18 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.241 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.3 tpt -49.16 -36.53 19.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -66.87 -36.81 83.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.008 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.04 -46.31 64.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.19 -53.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.04 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -57.24 -11.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.107 0.479 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.78 -16.22 6.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 43.89 65.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.05 -56.21 25.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' OD2' ' OD2' ' A' ' 52' ' ' ASP . 21.7 m-20 -159.86 -141.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.95 0.405 . . . . 0.0 110.784 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -60.46 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.268 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 44.9 t -61.47 -57.55 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtt -38.28 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 111.689 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' VAL . 20.0 t0 -86.77 -52.57 5.43 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.441 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.465 ' NZ ' HG21 ' A' ' 22' ' ' ILE . 8.7 mtmp? -60.25 -29.64 68.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -42.89 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -49.13 -45.94 44.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 57' ' ' LEU . 25.2 m -76.87 -43.99 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.626 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.444 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.2 tp -49.87 -56.44 10.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.241 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -65.98 -33.68 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.444 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -68.51 -33.32 73.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.79 -58.55 4.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.6 t -43.84 -52.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -56.97 -30.24 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -80.77 -38.61 15.86 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.676 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -75.65 28.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 84.58 155.13 22.29 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.454 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 65.6 Cg_endo -78.62 4.68 6.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.401 2.068 . . . . 0.0 112.005 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -62.86 -36.38 83.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -84.56 -11.22 56.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.45 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.4 p -57.97 -51.84 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m -60.51 -53.03 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -60.11 -36.11 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.5 -57.06 13.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.51 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -51.25 -38.97 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.607 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.26 -59.34 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.743 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.5 m-70 -50.98 -36.84 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.8 tp -63.99 -31.81 73.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 36.5 m -63.33 -48.65 77.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.7 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -77.45 -13.98 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.792 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -93.93 -35.15 12.8 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -149.89 77.59 8.45 Favored Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 120.636 0.255 . . . . 0.0 111.411 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.79 -28.12 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.697 2.264 . . . . 0.0 112.261 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.38 -72.02 0.16 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.47 -31.56 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.191 0.519 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.03 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.659 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 p -59.76 -39.09 83.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -88.41 -22.11 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 45.2 mmm . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 123.135 0.574 . . . . 0.0 110.333 179.832 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.85 -53.19 59.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.705 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.5 mm? -51.84 -63.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.938 0.399 . . . . 0.0 110.74 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.88 -57.46 0.81 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.815 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -62.96 -50.6 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' SD ' ' A' ' 87' ' ' MET . 36.6 mmtm -82.05 14.69 2.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.0 tpt180 -60.98 -38.55 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -75.04 -27.19 59.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.336 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -76.08 -71.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.243 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -46.58 -50.98 16.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.636 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 15' ' ' HIS . 2.6 tt -53.66 -49.89 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.43 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.549 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.2 m170 -91.75 52.55 2.05 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.209 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 m -168.37 -53.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.317 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 p -40.9 123.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.504 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -84.22 142.24 20.39 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.31 -0.472 . . . . 0.0 112.632 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.3 -20.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.291 . . . . 0.0 111.417 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.14 -60.16 2.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.693 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -51.61 -31.79 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 50' ' ' VAL . 85.2 mt -56.49 -47.39 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.738 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -65.06 -37.26 86.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.55 -27.42 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.19 -58.23 3.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.438 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -59.45 -32.93 70.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.39 -41.7 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 75' ' ' HIS . 7.3 t -65.8 -43.26 89.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.66 -47.95 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.629 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.4 mt -57.66 -44.56 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -46.22 -40.19 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.95 -20.93 40.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.2 mt-10 67.48 34.19 4.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.3 -37.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 pt -88.62 -168.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.332 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -144.76 156.79 44.24 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.977 0.418 . . . . 0.0 111.06 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 1.3 tm0? -42.5 -27.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.102 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.19 -54.54 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 5.0 m-20 -67.15 -47.48 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.684 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 ttt -46.57 -36.63 7.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.11 0.481 . . . . 0.0 110.288 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 4.8 m-20 -69.89 -37.9 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.768 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -51.42 -48.21 62.76 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.712 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.1 -51.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.991 0.424 . . . . 0.0 111.052 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.45 -21.63 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.868 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -55.46 -23.75 27.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 52.01 90.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -75.59 -64.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 21.5 t70 -160.81 -141.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.472 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.8 t -52.44 172.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 22' ' ' ILE . 48.3 t -53.25 -38.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -46.07 -40.1 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.714 0.293 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -80.93 -48.74 11.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.267 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 41.7 mttp -54.23 -34.25 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.187 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.74 -51.34 9.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -42.81 -45.34 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.58 -51.42 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.606 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.8 tp -47.24 -50.74 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.446 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.67 -26.87 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.38 -42.21 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.86 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.76 -59.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -50.26 -49.26 53.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -46.86 -39.82 11.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.648 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 29.3 mmtm -76.14 28.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.41 169.24 32.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.506 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 85.7 Cg_endo -75.33 -13.89 20.6 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.806 2.337 . . . . 0.0 111.974 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -58.9 -26.47 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.325 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -79.59 -27.84 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -52.2 -44.16 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.095 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 18.9 t -50.9 -56.8 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.258 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 72.3 mttt -63.88 -28.46 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.29 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -69.63 -41.9 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.5 mt -70.82 -39.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.42 -46.77 69.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.591 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 14.5 m-70 -60.28 -62.86 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -39.52 -39.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.767 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -60.88 -50.91 71.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.88 -11.91 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -107.92 -37.04 6.2 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.273 0.488 . . . . 0.0 112.099 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -134.52 74.28 66.21 Favored Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 120.888 0.375 . . . . 0.0 111.31 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -54.89 -26.41 48.42 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.02 2.48 . . . . 0.0 112.736 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -75.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.7 tp -53.54 -33.37 54.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.02 -10.28 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.554 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 t -64.51 -46.54 82.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.274 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -86.24 1.44 50.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.451 ' SD ' ' CB ' ' A' ' 9' ' ' LYS . 64.7 mmm . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.411 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.89 -63.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.26 -41.23 5.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.991 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' LYS . 57.1 ttt-85 -58.17 -66.7 0.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.224 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -70.95 12.36 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.367 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' ARG . 41.1 mmtm -137.97 6.5 2.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.934 0.494 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' LEU . 55.0 ttp180 -64.56 -33.73 76.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 20.6 ptt180 -73.16 -26.0 61.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.07 -73.48 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -42.51 -47.71 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.494 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -60.45 -48.67 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.1 m80 -87.17 50.7 2.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.195 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -169.87 -52.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.205 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -41.46 122.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.024 0.44 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.59 144.24 23.08 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.29 -24.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.264 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -59.9 2.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.7 m -44.53 -37.62 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.584 0.231 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 50' ' ' VAL . 65.5 mt -51.47 -59.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.921 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.0 -40.73 64.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.472 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.91 56.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.594 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -77.02 -58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.262 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.37 -29.63 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.57 -44.53 90.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.438 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.584 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.2 t -63.99 -40.33 96.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 mt -50.24 -51.17 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.19 -40.62 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.477 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.29 30.18 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.54 -43.41 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.92 155.18 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.132 0.492 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.7 t -94.39 164.57 12.96 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -23.65 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -74.16 -40.94 62.24 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.461 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -73.42 -40.99 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 0.0 109.903 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 ttt -56.89 -30.2 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -72.03 -40.47 68.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.61 -45.68 48.38 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.03 -46.75 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.772 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -62.7 -21.41 65.74 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.153 0.501 . . . . 0.0 110.555 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.92 -3.68 2.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.157 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' ARG . 7.0 pt-20 35.61 83.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.552 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -171.83 -139.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . 5.6 p -64.19 -166.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.448 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 22' ' ' ILE . 56.4 t -66.7 -38.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.5 OUTLIER -53.86 -35.67 61.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 0.0 111.332 -179.386 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.04 -38.46 14.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.826 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' NZ ' ' C ' ' A' ' 49' ' ' THR . 28.5 mtmm -70.43 -27.59 64.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.75 10.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.465 HH12 ' CZ ' ' A' ' 10' ' ' ARG . 6.2 tpp180 -46.47 -43.82 17.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.889 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.8 m -75.65 -50.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.8 tp -47.65 -55.49 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.314 . . . . 0.0 111.198 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.25 -34.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.98 -50.55 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.122 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -51.53 -51.33 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 72' ' ' PHE . 64.2 t -47.04 -58.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.363 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 m -57.82 -12.79 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.318 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -68.56 -46.41 62.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.75 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 1.6 mppt? -77.12 29.43 0.14 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.878 0.371 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.02 178.18 46.71 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.562 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.55 -5.96 17.6 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.86 2.374 . . . . 0.0 112.009 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.58 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -80.64 -36.88 31.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -43.9 -36.01 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 m -57.38 -65.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -59.41 -30.74 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 61' ' ' VAL . 53.0 t80 -63.37 -60.47 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.21 -35.02 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.388 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.18 -48.0 46.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.274 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.584 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 15.7 m-70 -63.35 -43.04 98.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.081 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.0 tp -61.18 -34.36 74.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.44 -53.16 60.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -69.24 -19.29 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.578 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -89.73 -31.48 17.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.774 0.321 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -150.34 101.46 3.14 Favored Pre-proline 0 N--CA 1.471 0.603 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -82.48 -18.14 7.13 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.489 1.459 . . . . 0.0 112.054 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.64 -57.9 4.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.351 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.41 -51.16 55.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.2 -13.27 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.842 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.26 -33.89 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.219 0.533 . . . . 0.0 109.802 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -83.21 -38.72 21.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.044 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.4 mmm . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.493 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.36 -52.11 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -55.72 -59.53 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.215 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' NH1' HH22 ' A' ' 10' ' ' ARG . 40.3 ttm-85 -36.52 -59.06 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.985 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -70.08 -43.34 71.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.2 mmtp -83.07 17.75 1.88 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.993 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.538 HH22 ' NH1' ' A' ' 7' ' ' ARG . 20.6 ttp180 -72.44 -34.5 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 32.8 ptt85 -76.96 -26.21 53.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' A' ' 9' ' ' LYS . 69.8 mt -76.61 -69.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -48.39 -48.78 36.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.711 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.0 tt -59.15 -49.68 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.798 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.554 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.1 m80 -88.13 53.82 2.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.286 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 m -172.5 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 17' ' ' VAL . 11.0 p -41.43 130.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.6 156.6 29.22 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.2 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -50.97 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.95 -57.56 10.85 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ALA . 40.8 m -42.68 -60.57 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 mm -35.64 -40.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.116 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -70.58 -41.02 72.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' THR . . . -76.26 -23.77 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.522 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.62 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.16 -30.46 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.22 -42.06 93.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 5.6 t -67.4 -34.64 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.22 -51.77 66.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.655 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -54.69 -42.86 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -47.0 -45.33 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.321 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.75 -17.83 55.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.573 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 65.28 32.87 9.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -76.18 -38.18 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.269 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -88.21 156.93 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ASP . 49.8 m -98.68 149.49 22.76 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.73 -31.07 0.43 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.725 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.647 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 1.9 m-20 -72.41 -45.54 59.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -52.25 -31.26 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.917 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.419 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 57.3 m-20 -71.86 -38.47 70.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -52.91 -49.82 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.21 -37.74 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 46' ' ' GLU . 22.9 tpt180 -63.45 -27.76 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 110.929 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLU . 23.1 m-20 -61.67 -5.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ASP . 5.8 pt-20 35.86 98.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.829 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -70.42 -71.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 49' ' ' THR . 3.3 p30 -161.6 -141.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 11.3 p -44.41 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.93 -34.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -49.24 -40.81 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -79.74 -49.83 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.221 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.32 -32.57 56.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.948 0.404 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -80.04 -42.12 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -56.51 -42.58 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 57' ' ' LEU . 28.5 m -77.01 -45.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.174 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.3 tp -54.71 -51.08 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 54' ' ' ALA . 17.9 tt -68.05 -27.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.244 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -71.63 -46.68 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -55.59 -50.27 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -48.61 -57.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -50.6 -42.32 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -53.27 -41.4 61.95 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.437 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 26.2 mmtm -75.32 27.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 76.08 166.9 22.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 97.9 Cg_endo -73.28 -14.52 25.53 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 111.698 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -59.66 -23.23 62.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -79.03 -33.9 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.827 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 8.7 p -43.11 -33.94 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.01 -58.98 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -63.9 -25.54 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.83 -58.93 3.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.41 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 50.4 mt -61.06 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -59.91 -52.9 63.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.577 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m-70 -60.75 -59.85 4.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 0.0 110.988 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.8 tp -40.97 -31.01 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 83.0 m -73.56 -38.3 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.452 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -11.12 60.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -115.05 -44.72 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 120.772 0.32 . . . . 0.0 111.087 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -116.73 92.57 38.48 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 123.278 0.631 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -83.86 -11.53 8.92 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.796 1.664 . . . . 0.0 112.227 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.511 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.97 -41.02 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.435 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.54 -17.56 55.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 p -54.55 -30.92 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.78 -38.44 15.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.7 mmm . . . . . 0 N--CA 1.468 0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.626 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -46.22 -56.87 5.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.885 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.45 -59.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.521 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -64.94 -43.82 91.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.399 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.92 6.39 11.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' NH2' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.86 -38.7 73.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.77 -29.89 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.338 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.79 -68.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -47.97 -53.29 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.393 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.4 tt -51.52 -49.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.563 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.6 m80 -91.83 57.7 3.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.493 0.317 . . . . 0.0 111.079 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -170.51 -57.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.54 131.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 154.31 26.39 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.171 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -26.92 13.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.34 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.04 -61.18 2.91 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.602 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 m -42.46 -38.8 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 50' ' ' VAL . 69.9 mt -51.9 -60.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.759 0.314 . . . . 0.0 110.949 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -51.31 -38.8 54.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 -27.72 53.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.375 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -73.94 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.527 -179.25 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.2 pp -57.8 -36.23 71.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 0.0 110.663 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 t70 -57.07 -44.03 82.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.664 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.85 -33.98 77.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.76 -34.99 76.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.79 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.74 -40.06 84.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.4 . . . . 0.0 110.17 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.35 -37.71 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.68 -21.87 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 69.28 28.7 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.78 -40.64 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 pt -89.27 -168.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.308 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -146.66 161.92 39.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -45.61 -25.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.517 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.25 -58.56 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.601 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.88 -48.45 71.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 tpt -45.64 -35.65 4.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -72.12 -36.28 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 2.2 tmtp? -53.01 -49.03 67.03 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.09 -38.49 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.0 tpt85 -62.45 -29.64 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.03 0.443 . . . . 0.0 110.813 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.0 p-10 -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.614 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 29.4 mt-10 49.96 94.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -75.48 -63.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.991 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -159.66 -141.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -50.08 179.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.34 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 22' ' ' ILE . 38.6 t -60.56 -44.21 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -41.79 -39.29 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.417 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -81.89 -48.91 10.94 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.261 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -54.26 -31.89 54.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.95 -50.51 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.686 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 39.6 tpt85 -42.46 -48.74 5.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG23 ' N ' ' A' ' 57' ' ' LEU . 13.2 m -74.46 -47.21 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.608 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.7 tp -49.28 -55.86 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 111.328 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.0 tt -62.87 -30.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.88 -46.04 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.534 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.49 -51.0 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 72' ' ' PHE . 68.1 t -46.06 -55.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -57.94 -48.88 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -43.6 -44.29 6.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -77.2 30.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.86 162.23 24.85 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.284 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 Cg_endo -74.98 -13.96 21.31 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.706 2.271 . . . . 0.0 111.773 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -57.03 -22.01 35.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.191 0.52 . . . . 0.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -78.04 -32.37 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 10.3 p -46.04 -51.73 13.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.572 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 86.2 m -46.42 -50.62 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 56.8 mttm -71.56 -23.39 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.43 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.5 t80 -73.55 -52.4 13.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.038 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.21 -29.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.375 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -75.95 -54.59 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.664 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 23.5 m-70 -57.17 -27.37 61.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.44 . . . . 0.0 110.516 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.16 -32.49 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.322 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -80.38 -28.0 38.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.928 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -53.64 6.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 111.586 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -131.11 77.29 75.1 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 122.828 0.451 . . . . 0.0 111.255 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.94 -29.53 35.75 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.699 2.266 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.81 -29.29 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 0.0 110.132 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -10.99 8.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 p -69.04 -49.71 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -80.35 11.39 3.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.15 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 N--CA 1.469 0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.438 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.78 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.48 -52.74 7.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -61.02 0.69 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -69.91 -40.33 75.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.51 22.66 1.03 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' ILE . 41.4 ttp180 -75.55 -45.5 37.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -68.54 -27.44 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.28 -68.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.447 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -49.93 -56.85 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 111.277 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.2 tt -46.98 -50.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.455 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.5 m170 -91.86 55.17 2.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.436 0.295 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -168.19 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 111.335 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -39.57 124.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.821 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.71 23.98 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -42.66 -28.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.28 -63.22 2.42 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.73 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 m -42.58 -35.39 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.662 0.268 . . . . 0.0 111.335 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 93.4 mt -53.3 -60.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -53.72 -37.97 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.403 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.93 -27.3 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 111.428 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.09 -58.88 3.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.98 -27.62 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.91 -46.95 85.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.331 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -63.12 -41.97 99.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.9 mt -51.88 -45.32 64.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.563 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.0 -41.83 79.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -50.3 -40.87 49.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.56 -16.6 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 66.68 32.85 6.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.15 -45.75 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 pt -88.99 155.69 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.956 0.407 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 p -101.1 159.36 15.29 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.234 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -47.9 -27.23 2.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.45 -51.27 37.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.503 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 44.8 m-20 -65.9 -38.25 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 110.137 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.56 -29.48 62.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.676 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 42.0 m-20 -72.46 -42.08 65.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.04 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -49.45 33.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 t -73.66 -52.77 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.35 -12.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.934 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -13.91 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 44.56 64.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -50.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.509 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 3.8 m-20 -159.55 -141.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.7 p -55.93 163.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 54.6 t -45.28 -32.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -53.54 -40.02 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.916 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.34 -42.91 16.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 39.0 mttp -59.32 -37.3 77.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.43 -37.97 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.542 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.4 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.43 -39.22 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.871 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 111.513 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 59' ' ' ASP . 17.6 tt -56.84 -41.95 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.718 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 58' ' ' ILE . 8.8 t70 -61.87 -60.24 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.96 -46.42 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.4 -65.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 m -44.61 -49.97 9.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.238 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -42.99 -41.22 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.662 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 42.7 mmtm -77.29 28.44 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.6 172.2 40.65 Favored Glycine 0 C--N 1.329 0.158 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.664 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.484 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.1 Cg_endo -77.18 -13.99 16.84 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.888 2.392 . . . . 0.0 112.214 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -59.08 -25.76 64.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 t -81.21 -30.19 34.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.8 p -53.29 -49.68 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.201 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 15.5 t -41.99 -45.96 3.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.405 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -76.41 -27.32 56.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.65 -53.37 19.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.355 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.41 -35.48 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -73.66 -66.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.999 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 12.0 m-70 -43.62 -27.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.077 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 tp -76.18 -55.71 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -41.86 -32.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.523 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.11 -45.76 19.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.62 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -71.14 -53.85 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.642 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.41 97.19 48.98 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.265 0.626 . . . . 0.0 111.0 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -83.18 -13.05 9.11 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.691 1.594 . . . . 0.0 111.928 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -58.59 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.308 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 85' ' ' SER . 2.9 tp -64.85 -47.67 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.627 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.52 -11.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.722 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.3 t -57.28 -39.4 75.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.018 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -80.13 -33.61 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.974 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 N--CA 1.468 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.549 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.488 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 14.8 p-10 -162.65 84.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 86.2 mm-40 -154.74 44.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.144 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -54.89 -59.53 4.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -48.17 -56.31 8.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.03 -69.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.558 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -57.37 -42.54 82.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HD2' HD12 ' A' ' 12' ' ' ILE . 54.9 mmtt -87.91 24.99 1.64 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.112 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.2 ttp180 -76.38 -31.8 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.682 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -76.75 -27.96 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.388 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 9' ' ' LYS . 49.0 mt -75.7 -70.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -47.37 -45.91 25.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.789 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.1 tt -62.22 -50.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.2 m80 -89.2 52.82 2.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.69 0.281 . . . . 0.0 111.312 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -171.13 -53.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.332 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.2 p -41.64 123.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.5 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 144.2 25.71 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.355 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.95 -22.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.97 -62.7 2.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -45.43 -37.82 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.5 0.19 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.15 -50.53 54.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.171 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 t-20 -59.02 -40.67 85.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.89 0.376 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.43 56.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.48 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.94 -57.95 3.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.322 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.36 -31.99 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -63.65 -43.52 96.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.6 t -63.53 -42.05 98.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.637 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -55.86 -43.66 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.436 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.52 -43.99 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -76.67 -19.63 57.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 67.58 28.77 7.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.86 -39.01 77.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.052 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.83 -169.32 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -138.97 156.95 46.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.789 0.436 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -45.97 -26.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.21 -52.32 24.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.7 -48.43 66.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpt -47.45 -33.91 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -72.67 -36.04 67.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.941 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -51.85 -52.7 47.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 t -69.9 -45.25 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.644 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -52.97 -31.79 42.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.582 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.96 -26.68 6.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 51.45 98.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -76.09 -71.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 49' ' ' THR . 25.0 t0 -160.66 -141.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 50' ' ' VAL . 88.7 m -42.84 158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.508 ' N ' HG22 ' A' ' 49' ' ' THR . 42.8 t -46.87 -41.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.758 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtp -45.49 -33.95 2.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.825 0.345 . . . . 0.0 111.02 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.72 -50.72 7.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.498 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 9.2 mtmp? -60.62 -24.13 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.461 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.45 -55.32 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -44.55 -40.29 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.0 m -75.4 -41.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.534 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -63.02 -50.73 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 tt -62.35 -35.79 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.404 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -71.26 -59.52 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.59 -41.68 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 57' ' ' LEU . 74.4 t -60.62 -68.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.668 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -43.84 -35.75 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -54.41 -39.09 64.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -75.98 27.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.91 172.62 39.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.406 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.05 -10.66 23.0 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.829 2.353 . . . . 0.0 111.875 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -61.34 -29.45 69.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -79.18 -41.49 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.2 p -42.42 -35.4 1.02 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.194 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 m -57.44 -65.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -56.62 -32.32 65.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.26 -34.15 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.456 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.96 -58.99 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 4.3 m-70 -55.2 -39.1 69.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.12 -38.68 92.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 97.6 m -56.99 -45.47 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.573 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.16 -25.73 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.745 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -81.48 -33.06 32.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.472 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -150.31 103.76 3.12 Favored Pre-proline 0 N--CA 1.471 0.578 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.913 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.58 -14.88 10.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.423 1.416 . . . . 0.0 111.874 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -65.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.358 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 85' ' ' SER . 18.2 tp -61.39 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.072 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -56.06 -6.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.9 t -66.1 -45.06 82.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.304 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -79.77 3.26 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.359 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.529 ' O ' HD22 ' A' ' 89' ' ' LEU . 41.6 mmm -135.23 10.19 3.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.235 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -93.48 39.5 2.94 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.686 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.634 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.5 -33.57 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.953 0.501 . . . . 0.0 111.953 -179.27 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 20.3 p-10 -160.79 81.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 29.2 mm100 -151.55 32.5 0.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.66 -45.33 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.2 mm? -56.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt-85 -39.33 -53.11 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.635 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -65.36 -49.84 67.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -84.13 17.2 2.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.4 ttp85 -66.87 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -77.44 -29.29 52.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.4 mt -75.96 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.979 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -57.77 -56.03 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.282 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.6 tt -48.39 -49.95 12.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.341 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.557 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.8 m80 -92.34 55.65 2.59 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -167.26 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 0.0 111.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -42.29 122.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.25 142.97 22.56 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.578 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.72 -28.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 0.0 111.692 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -75.72 -62.19 2.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.757 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -45.48 -34.71 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 88.8 mt -53.63 -52.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.718 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -61.52 -40.15 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.489 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -26.75 60.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.2 tm? -74.2 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.23 -31.27 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.87 -48.45 80.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -59.77 -42.84 94.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.33 -44.5 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 35.2 mt -60.69 -41.03 94.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.52 -42.13 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.002 0.43 . . . . 0.0 110.148 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.31 -17.9 44.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.348 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.7 mt-10 65.33 38.58 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.21 -40.31 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -89.05 155.39 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.865 0.364 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' ASP . 55.2 m -95.09 145.83 24.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -41.2 -33.24 0.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.928 0.394 . . . . 0.0 111.055 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.299 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -66.84 -50.03 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 ttt -47.91 -33.6 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.459 . . . . 0.0 109.783 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -69.8 -36.28 75.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.504 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.11 -46.48 68.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.922 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 tpt85 -58.25 -11.03 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.046 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.49 -19.35 47.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 52.41 80.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -74.8 -62.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 49' ' ' THR . 16.6 t70 -160.71 -140.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.48 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 41.2 p -60.3 175.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.418 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 49.5 t -52.25 -32.46 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.45 -43.66 55.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.29 . . . . 0.0 111.191 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.6 -43.05 21.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 42.5 mttp -58.73 -36.34 74.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.244 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.61 -44.99 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -50.88 -43.56 59.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.8 m -78.17 -46.58 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.511 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.7 tp -52.82 -52.28 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.047 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 tt -65.05 -32.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.44 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.28 -51.61 43.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.411 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.13 -49.79 50.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.001 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.3 t -49.97 -59.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -56.87 -28.21 61.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -64.71 -39.85 96.99 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 27.4 mmtm -77.27 28.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.755 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.8 170.98 39.12 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.9 Cg_endo -75.06 -10.82 21.28 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.801 2.334 . . . . 0.0 111.92 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -29.24 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -77.16 -36.28 55.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 3.4 p -44.34 -45.15 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.39 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.482 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m -54.42 -54.86 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 53.4 mtmt -69.18 -19.11 63.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.388 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -75.34 -53.2 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.14 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.0 mt -61.33 -37.25 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.428 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -67.26 -48.56 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.307 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.5 m-70 -64.52 -46.95 80.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.38 -33.79 68.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.57 -52.52 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.513 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.604 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -90.83 -30.69 16.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.806 0.336 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -150.15 99.16 3.26 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 -14.76 9.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.466 1.444 . . . . 0.0 111.992 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -71.92 -62.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.8 -48.6 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.94 -14.87 0.64 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -54.11 -35.3 62.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.517 . . . . 0.0 109.728 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 1.8 mptp? -86.79 -35.98 18.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.158 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.0 mtp -93.01 17.94 9.97 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.622 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -112.01 48.23 0.96 Allowed Glycine 0 N--CA 1.468 0.795 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.971 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.633 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.47 -35.45 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.77 0.428 . . . . 0.0 111.831 -179.496 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.744 0.307 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -163.31 79.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -150.75 42.4 0.79 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -41.73 -56.28 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.5 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -52.78 -60.84 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -64.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.753 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.37 -41.3 96.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -85.1 12.55 7.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.88 -48.51 81.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -59.83 -26.22 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.54 -72.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.514 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -45.27 -53.58 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.486 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.544 HG23 ' N ' ' A' ' 15' ' ' HIS . 8.2 tt -51.6 -50.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.576 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.2 m80 -97.17 52.96 1.16 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.61 0.364 . . . . 0.0 111.028 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.1 m -167.63 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.4 p -42.05 126.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.475 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.01 140.66 20.98 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.74 -27.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.383 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -62.38 3.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.691 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.7 m -44.39 -36.32 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.564 0.221 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG21 ' HZ3' ' A' ' 53' ' ' LYS . 74.1 mt -55.02 -48.37 75.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.68 -39.74 92.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.875 0.369 . . . . 0.0 111.195 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 -26.58 55.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.526 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -75.31 -57.79 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.419 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.14 -35.95 70.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.754 0.311 . . . . 0.0 110.744 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.3 -44.56 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -62.32 -43.22 99.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -49.39 -47.08 48.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.8 mt -57.39 -43.36 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.381 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.63 -45.42 13.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 10.1 m-20 -79.03 -19.29 51.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LEU . 9.7 mt-10 66.14 34.22 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.38 -40.59 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.9 pt -89.14 156.24 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.316 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.2 t -99.7 153.75 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -46.49 -27.36 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -70.14 -39.25 75.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.17 0.51 . . . . 0.0 110.129 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 60' ' ' LEU . 1.2 m-20 -73.92 -55.13 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.991 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -48.01 -29.45 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.101 0.477 . . . . 0.0 109.891 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -72.23 -39.33 68.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -55.57 -50.34 70.31 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -70.47 -46.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -59.53 -21.85 60.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 110.651 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.3 -17.88 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 53.8 93.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.8 -59.24 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.3 t70 -162.23 -140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.461 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 9.3 t -62.06 -175.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.354 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 49' ' ' THR . 51.7 t -58.99 -33.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.167 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -56.89 -39.03 73.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.57 -36.28 22.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.666 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HZ3' HG21 ' A' ' 22' ' ' ILE . 6.9 mtpm? -69.81 -35.36 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 -38.94 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -55.69 -41.2 73.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.023 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.71 -42.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.513 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.1 tp -60.96 -48.34 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.215 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.75 -34.62 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.455 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.49 -56.3 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 39' ' ' ASP . 16.1 mt -43.31 -50.94 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 57' ' ' LEU . 86.7 t -51.81 -59.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 m -56.78 -17.82 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -71.2 -38.16 63.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -77.31 29.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.44 171.39 41.33 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 Cg_endo -73.57 -2.39 12.1 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.792 2.328 . . . . 0.0 111.9 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -28.65 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.24 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -81.35 -32.52 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 2.7 p -47.73 -35.93 10.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.04 -71.77 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 32' ' ' ASP . 30.5 mtpt -48.1 -26.53 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.174 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.54 -42.42 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.425 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.63 -35.14 68.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.137 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' A' ' 74' ' ' LYS . 1.2 mptm? -75.0 -42.76 56.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.79 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 5.0 m-70 -65.1 -39.5 93.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.96 -30.89 70.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.18 -52.73 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.536 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.07 -19.77 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.811 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -87.36 -37.74 16.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -150.6 77.35 7.98 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-O 120.683 0.278 . . . . 0.0 111.385 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.21 -23.02 12.28 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.662 2.241 . . . . 0.0 112.251 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -74.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.79 -35.65 61.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -57.19 -11.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.398 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 t -64.32 -48.62 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.101 0.476 . . . . 0.0 110.122 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' ' HE3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -85.4 6.27 27.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.7 mtp -145.52 34.97 1.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.591 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -154.98 61.71 0.36 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -36.26 -37.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.638 0.375 . . . . 0.0 111.592 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.947 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 16.4 p30 -163.63 82.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 34.0 mm-40 -152.79 41.73 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.16 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 89' ' ' LEU . 8.7 tt -56.06 -64.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.86 -56.52 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -35.75 -63.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.123 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.467 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -88.4 23.75 2.11 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.97 -29.99 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -75.46 -27.82 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.199 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.18 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.461 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -50.84 -56.88 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.292 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 15' ' ' HIS . 15.4 tt -47.85 -51.53 8.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.277 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.594 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.1 m80 -92.48 52.04 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -164.65 -55.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.1 p -42.87 123.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.89 142.21 21.44 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.64 -33.84 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.743 0.306 . . . . 0.0 111.732 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -63.17 3.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -45.19 -42.13 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.315 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 50' ' ' VAL . 85.6 mt -45.97 -51.88 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.698 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -60.31 -42.54 95.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.438 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.19 -23.34 59.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.733 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -77.51 -59.21 2.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.57 -31.88 62.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -61.65 -50.33 72.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.48 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 6.3 p -56.84 -39.89 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 64.1 mt -51.9 -47.47 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.97 -43.7 73.72 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -48.02 -42.0 27.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -77.08 -18.66 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.9 33.22 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.8 -43.79 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.83 -169.21 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.446 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' GLU . 15.8 m -144.0 151.01 39.15 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.749 0.419 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -36.93 -28.31 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.758 -179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' SER . 80.0 mm-40 -69.67 -54.4 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -66.33 -46.46 76.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.244 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 40' ' ' MET . 1.0 OUTLIER -48.42 -33.96 10.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.13 179.521 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 2.8 m120 -70.64 -38.47 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -48.26 -48.94 35.11 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.934 0.397 . . . . 0.0 110.174 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.69 -49.48 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.094 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -3.8 3.28 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.47 -11.55 59.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 57.19 76.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -69.19 -78.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.97 -140.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 50' ' ' VAL . 23.9 m -53.67 159.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 22' ' ' ILE . 55.8 t -45.97 -25.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.2 -39.49 90.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.53 -36.79 21.93 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.661 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 8.0 mtmp? -73.03 -34.34 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.1 -34.46 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 73.7 ttt-85 -61.79 -38.64 88.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -78.33 -42.66 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.67 -51.45 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 111.198 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.4 tt -64.4 -36.19 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.521 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.98 -56.69 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.519 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.43 -49.02 36.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.276 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.3 -59.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.178 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -57.96 -18.38 23.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.363 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.8 -36.3 37.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.66 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -79.93 31.25 0.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 167.94 41.91 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.798 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.2 Cg_endo -75.99 -16.09 18.26 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.964 2.443 . . . . 0.0 112.14 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -58.49 -23.8 58.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -79.4 -37.1 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.9 p -46.89 -45.98 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 98.8 m -52.3 -60.21 3.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.29 -34.18 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -61.91 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.82 -31.03 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' CYS . 91.2 mttt -73.23 -67.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.337 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 80.4 m-70 -44.14 -30.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.51 -35.08 63.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' LYS . 89.9 m -57.83 -45.27 86.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.635 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.57 -25.56 41.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.975 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -82.88 -30.99 28.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -150.08 101.02 3.2 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.88 -11.28 11.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.366 1.378 . . . . 0.0 111.851 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -76.19 -64.37 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' C ' ' N ' ' A' ' 85' ' ' SER . 5.9 tp -63.69 -46.88 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 109.773 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -49.76 -12.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.543 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 83' ' ' LEU . 18.2 t -65.2 -45.4 84.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.989 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.63 12.94 2.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' HD22 ' A' ' 89' ' ' LEU . 19.8 mtp -147.26 11.8 1.04 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.77 37.9 3.29 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.948 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.12 -35.21 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.847 0.459 . . . . 0.0 111.783 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 2.6 t-80 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.823 0.344 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 1.4 p30 -163.5 82.18 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.98 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 96.2 mm-40 -154.51 39.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.985 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.65 -68.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.238 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -42.49 -53.48 4.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 111.061 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -57.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.0 -40.05 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.388 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.91 15.19 3.48 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.3 ttp85 -66.19 -39.41 89.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.37 -26.05 58.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.13 -69.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.185 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -48.44 -54.24 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.311 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.9 tt -51.16 -50.05 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.497 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.8 m170 -91.28 53.04 2.22 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.496 0.318 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -170.3 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.307 . . . . 0.0 111.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -56.57 124.26 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.394 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.17 145.84 23.5 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.577 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 -30.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.25 -63.97 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -42.12 -36.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.577 0.227 . . . . 0.0 111.417 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.521 HD11 HG13 ' A' ' 50' ' ' VAL . 78.2 mt -53.74 -56.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.003 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -54.96 -40.13 69.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.785 0.326 . . . . 0.0 111.312 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.8 -27.37 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.578 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.18 -58.07 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.257 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.26 -28.56 65.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.0 0.428 . . . . 0.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.75 -48.47 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.336 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 5.8 t -59.99 -44.19 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -47.54 -47.94 27.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.89 -45.28 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.31 -38.57 28.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.79 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.68 -19.7 54.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 66.04 31.15 9.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.75 -41.8 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.32 -168.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 m -145.92 159.23 43.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.939 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -43.29 -27.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.987 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.98 -52.37 29.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.29 -51.37 37.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.32 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.5 tpt -46.14 -31.18 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -75.08 -39.53 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.627 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -51.99 -48.05 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.053 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.17 -49.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.475 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -16.7 36.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -62.73 -17.34 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 56.25 88.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -75.96 -61.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -160.15 -141.54 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 50' ' ' VAL . 24.7 m -65.79 167.65 9.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.59 ' N ' HG22 ' A' ' 49' ' ' THR . 53.7 t -42.39 -46.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -43.77 -38.11 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.168 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -84.13 -45.65 12.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.693 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -63.37 -23.4 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.75 0.31 . . . . 0.0 111.434 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.07 -54.97 4.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -44.73 -40.63 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 57' ' ' LEU . 26.1 m -76.53 -40.63 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.491 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 11.2 tp -61.48 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -68.74 -27.21 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.428 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.94 -43.9 28.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.66 -42.28 83.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.4 -57.2 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -55.39 -12.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.17 -47.89 68.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.585 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 1.6 mptp? -76.38 28.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 110.776 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.1 177.81 48.31 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.624 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 90.0 Cg_endo -74.15 -5.14 16.52 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.81 2.34 . . . . 0.0 111.949 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.31 -42.81 99.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.329 0.585 . . . . 0.0 109.519 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -64.53 -36.05 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.388 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 1.2 p -42.07 -37.95 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.4 m -54.49 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 59.7 mmtt -58.84 -27.78 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -70.58 -54.0 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.316 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.02 -41.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.49 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -68.21 -56.61 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.583 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 6.5 m-70 -54.1 -29.9 46.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.5 tp -74.21 -32.87 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.7 -47.46 84.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.2 pp20? -77.37 -23.9 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 60.0 mm-40 -83.16 -34.58 25.96 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -146.2 105.39 4.11 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.954 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.05 -17.14 9.53 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 121.354 1.37 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 83' ' ' LEU . 5.8 tm0? -73.68 -72.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.2 tp -53.01 -41.94 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 109.971 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -51.52 -9.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.825 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' LEU . 41.9 t -65.96 -48.15 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.924 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -81.67 13.47 3.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.037 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.6 mtp -145.59 11.83 1.29 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -100.23 43.07 1.83 Allowed Glycine 0 C--N 1.34 0.771 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.782 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.669 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.26 -34.38 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.969 0.508 . . . . 0.0 111.905 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' GLY . 31.4 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.788 0.327 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 5.2 p-10 -161.57 85.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 80.6 mm-40 -155.51 34.26 0.37 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.391 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -53.87 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.0 mm? -41.68 -33.47 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.253 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.27 -62.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -72.27 10.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.269 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' ARG . 20.6 mmmt -139.42 11.64 2.54 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.756 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.618 ' NH2' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -67.4 -29.73 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.202 179.411 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -76.34 -32.4 58.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.69 -60.64 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.295 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.33 -57.94 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 111.016 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 15' ' ' HIS . 18.7 tt -49.48 -50.73 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.384 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.604 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.2 m80 -88.76 54.78 3.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -170.21 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 111.24 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.7 p -40.43 124.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.535 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.18 146.66 24.03 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.19 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.95 -60.36 2.94 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.611 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.0 m -43.84 -35.83 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.6 0.238 . . . . 0.0 111.374 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 HG13 ' A' ' 50' ' ' VAL . 74.6 mt -53.9 -60.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.047 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -52.89 -38.24 61.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.5 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -28.36 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.542 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.2 -58.15 3.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.258 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.94 -28.1 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.759 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -63.63 -46.11 87.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.28 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HG ' ' CE1' ' A' ' 75' ' ' HIS . 11.2 t -63.59 -42.57 98.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.885 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.3 mt -49.34 -49.1 45.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.613 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.8 mt -55.39 -43.59 75.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.394 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -46.65 -42.45 16.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.08 -18.59 49.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' LEU . 28.2 mt-10 65.84 35.19 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.48 -42.23 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 pt -88.93 156.75 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.77 0.319 . . . . 0.0 110.2 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' ASP . 14.6 p -96.23 150.28 20.71 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.978 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -46.53 -23.08 0.34 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.17 -42.58 55.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' SER . 14.3 m-20 -71.65 -46.02 60.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.7 tpt -51.02 -35.2 32.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.702 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.474 ' N ' HD22 ' A' ' 41' ' ' ASN . 1.9 m120 -68.61 -36.95 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.551 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.47 -49.38 61.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.31 -38.92 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -72.0 -10.39 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.26 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.49 -10.79 54.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 54.19 89.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.207 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -78.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' THR . 29.4 t0 -161.73 -140.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.723 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 78.8 p -63.54 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG13 HD11 ' A' ' 22' ' ' ILE . 52.9 t -63.98 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -53.12 -34.39 56.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.996 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -87.31 -41.69 13.46 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 111.224 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.4 -53.17 7.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NE ' ' NH2' ' A' ' 10' ' ' ARG . 34.3 tpt85 -42.7 -45.18 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.228 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 57' ' ' LEU . 23.4 m -76.35 -39.7 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.752 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 56' ' ' VAL . 7.1 tp -58.16 -58.05 10.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.65 -34.41 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -67.61 -54.81 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.96 -55.12 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -45.8 -54.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -58.29 -28.05 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -69.45 -34.74 74.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 29.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.69 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 80.54 166.3 34.52 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.6 Cg_endo -74.11 -15.31 23.19 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.824 2.35 . . . . 0.0 111.925 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -58.79 -27.17 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.1 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 t -76.85 -39.98 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.986 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -43.72 -39.44 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.87 -64.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 68.1 mttt -51.65 -38.38 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -57.55 -56.06 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 68.1 mt -54.57 -32.87 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -74.88 -50.13 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.31 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 75' ' ' HIS . 13.8 m170 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.51 -37.94 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 68.3 m -60.7 -38.74 86.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.048 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -79.61 -26.96 41.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.562 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.09 -55.35 5.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.793 0.33 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.68 106.69 26.38 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.358 0.663 . . . . 0.0 110.503 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -81.09 -20.3 7.49 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.317 1.345 . . . . 0.0 112.094 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -66.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.4 tp -59.6 -43.18 93.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.311 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.42 -10.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 83' ' ' LEU . 38.4 t -61.2 -42.38 98.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -86.26 -18.29 32.47 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.41 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.7 mtp -116.3 27.17 9.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.205 0.602 . . . . 0.0 110.708 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -136.61 58.81 0.65 Allowed Glycine 0 N--CA 1.47 0.952 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.638 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.91 -36.45 0.08 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.615 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.854 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -165.3 80.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -147.33 49.29 1.1 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.571 ' CD1' HD21 ' A' ' 89' ' ' LEU . 9.4 tt -64.03 -51.56 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -52.14 -59.29 4.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 110.968 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -38.0 -57.08 1.08 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -67.86 -45.41 74.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.833 0.349 . . . . 0.0 111.2 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 12' ' ' ILE . 63.2 mmtt -81.86 13.96 2.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' ILE . 23.9 ttp-105 -64.98 -36.93 85.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -78.02 -31.04 50.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 9' ' ' LYS . 98.4 mt -75.33 -57.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.354 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.73 -57.8 10.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 15' ' ' HIS . 7.9 tt -47.26 -51.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.6 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.8 m80 -89.39 53.92 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 m -167.85 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.208 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.0 p -41.19 122.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.358 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.66 143.45 22.49 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.47 -24.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.735 0.303 . . . . 0.0 111.474 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.96 -62.13 2.41 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.775 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -45.47 -34.43 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 0.0 111.454 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 50' ' ' VAL . 87.1 mt -53.69 -59.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -55.46 -37.26 67.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.37 -27.36 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 111.424 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -74.54 -59.2 2.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.76 -29.16 67.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -62.57 -44.35 96.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -64.83 -42.71 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.826 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -51.23 -46.47 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' GLU . 58.9 mt -56.71 -44.57 81.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.346 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -45.64 -45.84 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.727 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.4 -17.7 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.512 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' LEU . 14.1 mt-10 66.06 34.87 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.36 -41.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 pt -89.2 155.9 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.797 0.332 . . . . 0.0 110.378 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ASP . 62.3 m -96.78 150.94 20.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -45.73 -32.3 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.23 -38.03 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' SER . 58.6 m-20 -73.58 -52.76 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.311 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.5 tpt -48.14 -31.14 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.0 109.881 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' ASP . 43.4 m-20 -71.64 -39.82 70.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.578 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -48.32 37.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 t -70.72 -45.08 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.25 -0.97 27.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ASN . 17.6 t70 -64.9 -6.76 9.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.99 72.09 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -77.25 -75.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.74 -141.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -64.72 -168.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 55.5 t -64.74 -34.67 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -36.5 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.15 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -86.83 -40.41 14.95 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.667 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -68.61 -29.7 68.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 111.278 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.8 -54.11 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -43.0 -45.08 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 57' ' ' LEU . 19.9 m -72.81 -49.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.0 tp -46.77 -55.62 7.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.145 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.56 -29.28 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -68.63 -43.72 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -55.45 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.64 -53.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -35.71 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.307 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -59.34 -39.09 94.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 29.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.72 169.25 35.74 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.601 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.6 Cg_endo -74.82 -12.52 21.92 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.853 2.368 . . . . 0.0 111.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -59.62 -25.23 64.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -81.14 -28.26 35.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.3 p -54.15 -39.91 66.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 95.6 m -56.67 -65.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.4 mttt -57.52 -31.46 66.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.69 -51.37 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.8 mt -62.69 -34.48 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.346 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.09 -42.97 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.536 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 39.5 m-70 -69.26 -52.6 26.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.34 -33.61 13.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.9 m -63.31 -61.77 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.21 -2.55 2.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.558 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -104.62 -37.45 7.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.713 0.405 . . . . 0.0 111.614 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -150.4 77.49 8.09 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-O 120.758 0.313 . . . . 0.0 111.496 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.97 -26.26 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -69.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.07 -36.29 83.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.56 . . . . 0.0 110.466 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -60.3 -18.01 46.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.442 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 p -57.39 -37.32 72.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.22 -31.08 23.37 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.067 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.0 mtp -102.34 26.03 8.26 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.329 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -127.31 56.08 0.73 Allowed Glycine 0 N--CA 1.469 0.895 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.917 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.43 -51.87 2.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.165 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.896 -179.833 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.55 95.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -150.05 65.86 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.23 -56.28 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.607 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -49.34 -59.25 3.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.687 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -55.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.319 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.5 -48.32 78.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -81.87 10.95 5.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.8 tmt_? -60.57 -37.49 81.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.74 -28.59 55.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -78.01 -68.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -46.06 -50.41 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.483 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -56.93 -49.52 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.571 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.7 m170 -93.68 56.71 2.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.546 0.339 . . . . 0.0 111.182 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.6 m -172.09 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.1 133.45 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.599 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.66 151.72 21.06 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.92 -18.92 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.03 -62.67 2.3 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 m -47.24 -37.38 10.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.611 0.243 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 HG13 ' A' ' 50' ' ' VAL . 65.3 mt -53.0 -56.69 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.917 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -55.0 -40.55 70.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.769 0.318 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB1' ' OE2' ' A' ' 79' ' ' GLU . . . -75.36 -26.72 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.688 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.4 tm? -75.83 -58.2 3.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.87 -31.45 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.11 -43.88 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.225 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.581 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 10.2 t -62.36 -42.9 99.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.551 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -48.63 -45.48 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.93 -40.72 89.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.242 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.78 -45.61 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.407 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 6.1 m-20 -80.89 -17.2 51.43 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.395 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 64.97 38.07 6.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.4 -39.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.4 pt -89.02 154.57 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' ASP . 64.6 m -97.93 149.75 22.07 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.369 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -41.86 -31.67 0.34 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.42 -41.82 79.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.396 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 m-20 -72.19 -43.02 65.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.237 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 ttt -55.81 -25.37 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -76.94 -39.88 49.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.048 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -51.09 51.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.948 0.404 . . . . 0.0 109.996 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.37 -52.58 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.689 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -55.22 -10.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.462 . . . . 0.0 111.021 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.17 -16.17 61.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.697 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.65 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -73.68 -81.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 49' ' ' THR . 28.1 p30 -161.85 -138.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 10.6 p -40.38 165.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.613 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 22' ' ' ILE . 41.1 t -61.27 -39.85 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpp? -44.81 -38.74 4.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.148 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.46 -49.46 10.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.501 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -56.8 -31.04 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.423 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -46.97 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.87 -37.94 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.749 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.53 -46.84 81.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.433 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.1 tt -69.37 -28.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.749 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -71.73 -43.93 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD22 ' OD2' ' A' ' 39' ' ' ASP . 12.0 mt -58.3 -48.81 79.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.57 -60.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -52.97 -42.15 65.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -52.58 -37.72 50.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.503 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.51 28.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.787 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.02 170.41 35.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.533 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.2 Cg_endo -74.86 -10.58 21.52 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.85 2.367 . . . . 0.0 112.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -80.52 -32.88 36.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.1 p -50.1 -46.38 53.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.518 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 36.6 t -53.63 -61.9 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.194 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.18 -36.44 75.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -58.13 -51.21 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.76 -30.15 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.384 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -72.76 -47.14 49.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.581 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 40.1 m-70 -65.62 -40.7 92.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 tp -60.71 -32.89 72.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.82 -54.66 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.433 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.95 -13.0 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.741 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' OE2' ' HB1' ' A' ' 24' ' ' ALA . 52.4 mm-40 -93.1 -38.84 11.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.33 76.97 8.33 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 120.756 0.312 . . . . 0.0 111.432 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.98 -19.69 6.03 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.68 2.254 . . . . 0.0 112.077 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -69.45 -75.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.634 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.4 tp -53.7 -39.23 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.598 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.47 -9.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.811 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.5 t -65.94 -49.0 69.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.087 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -83.71 11.14 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.173 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.1 mtp -146.03 19.32 1.43 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -123.4 52.99 0.76 Allowed Glycine 0 N--CA 1.472 1.042 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.992 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.11 -35.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 111.712 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.96 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 9.8 p-10 -161.61 83.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.033 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -146.45 62.45 1.22 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.896 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -65.49 -77.71 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.656 -179.27 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.5 mm? -45.51 -60.04 2.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 110.866 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.79 -55.56 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.861 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.74 -48.6 65.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.729 0.299 . . . . 0.0 111.353 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -87.78 24.06 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 48.3 ttt-85 -76.86 -52.56 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.003 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -45.36 -29.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.26 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -78.63 -64.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.492 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -44.5 -53.3 7.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 15' ' ' HIS . 11.0 tt -56.34 -50.2 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.586 ' N ' HG23 ' A' ' 14' ' ' ILE . 45.6 m80 -88.62 52.28 2.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 m -170.29 -57.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.721 0.296 . . . . 0.0 111.419 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -37.15 130.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.884 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.36 149.63 22.08 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.681 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.45 10.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 111.395 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.96 -46.28 17.41 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.9 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -57.73 -35.84 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.577 0.227 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.52 HD11 HG13 ' A' ' 50' ' ' VAL . 72.5 mt -53.04 -61.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 110.981 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.22 -40.43 47.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.232 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.6 59.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.587 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.405 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.19 -27.16 65.44 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -67.68 -42.32 82.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.288 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.8 t -65.05 -42.98 93.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.719 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -50.93 -44.55 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.6 mt -57.94 -44.61 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.31 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -46.32 -44.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.37 -17.57 56.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.634 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 32.7 mt-10 64.76 34.34 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.37 -41.71 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.17 155.76 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.895 0.378 . . . . 0.0 110.354 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' ASP . 43.1 m -95.08 150.0 20.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -44.42 -31.67 1.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.19 -39.87 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 36.9 m-20 -70.05 -52.24 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.345 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.0 tpt -47.08 -33.96 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -70.95 -36.91 72.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.739 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -51.65 -48.59 63.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.35 -52.33 27.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.017 0.437 . . . . 0.0 110.719 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -19.97 2.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.453 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 52.2 t0 -59.35 -15.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 47.35 80.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 11.8 p30 -70.23 -44.85 67.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 20.8 t70 -171.52 -139.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.447 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 67.3 p -66.75 -170.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.38 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 22' ' ' ILE . 48.8 t -62.27 -51.62 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.062 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -42.9 -35.76 1.3 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.458 -179.499 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.62 -44.5 11.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.592 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.83 -21.95 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.208 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.38 -52.12 6.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -44.57 -41.54 6.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG23 ' N ' ' A' ' 57' ' ' LEU . 34.3 m -76.57 -46.24 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.484 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.2 tp -53.24 -55.34 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 tt -61.73 -31.54 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.33 -51.82 47.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.64 -44.21 62.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG21 ' CD2' ' A' ' 72' ' ' PHE . 59.6 t -55.88 -64.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -51.77 -24.32 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.268 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.83 -41.94 93.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -78.48 30.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.899 0.381 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.53 171.22 41.25 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.685 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.4 Cg_endo -74.93 -14.13 21.4 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.871 2.381 . . . . 0.0 112.022 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.22 -24.93 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 110.434 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -81.8 -25.65 35.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 6.1 p -51.76 -45.14 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 20.4 m -54.95 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.5 mmtt -55.03 -31.16 60.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 61' ' ' VAL . 59.1 t80 -70.23 -72.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.1 mt -43.75 -39.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 -60.99 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m-70 -48.73 -28.65 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.1 tp -75.84 -31.87 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 56.1 m -60.09 -46.66 88.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.538 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.75 -25.24 53.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.681 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -83.61 -30.99 26.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.383 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -150.31 101.34 3.15 Favored Pre-proline 0 N--CA 1.47 0.537 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -82.11 -20.58 6.14 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.46 1.44 . . . . 0.0 111.969 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -68.62 -59.36 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.73 -52.62 56.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.2 -20.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 t -53.5 -35.63 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 109.771 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -84.22 -38.5 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.253 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.507 ' O ' HD22 ' A' ' 89' ' ' LEU . 27.6 mtp -88.61 15.46 8.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.52 37.55 3.37 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.1 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.631 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.57 -34.22 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.626 0.37 . . . . 0.0 111.714 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.4 m80 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 4.6 p-10 -163.44 88.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 18.1 mm-40 -152.6 56.33 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.515 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' CD1' HD21 ' A' ' 89' ' ' LEU . 9.1 tt -64.58 -56.54 13.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -50.98 -59.37 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -36.79 -65.02 0.31 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.95 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -64.18 -41.9 96.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.0 11.72 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -65.53 -46.27 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.975 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -65.73 -30.78 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.334 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.21 -57.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.491 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.63 -51.54 69.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.311 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.8 tt -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.597 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.9 m80 -90.89 53.68 2.46 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.012 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -167.27 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.07 121.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.462 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.33 145.27 24.08 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.624 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -43.33 -22.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 111.37 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.49 -61.51 2.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.824 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -48.43 -35.77 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.295 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 89.1 mt -51.59 -61.85 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -51.0 -39.09 54.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.43 51.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 111.507 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.69 -58.76 3.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.343 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.1 pp -59.26 -36.08 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.827 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' N ' HD12 ' A' ' 26' ' ' LEU . 38.9 t70 -57.85 -45.06 86.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -62.57 -42.67 99.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -49.37 -44.9 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 35' ' ' ILE . 7.6 mp -59.99 -42.51 94.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -46.7 -40.67 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.49 -19.82 45.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.4 mt-10 67.8 34.05 4.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.85 -46.29 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 HD12 ' A' ' 30' ' ' LEU . 11.3 pt -89.4 156.39 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.901 0.382 . . . . 0.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' ASP . 44.6 m -99.32 150.83 21.72 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -42.18 -30.48 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.72 -44.8 69.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' SER . 19.0 m-20 -68.05 -46.78 70.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.963 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.2 tpt -49.91 -35.13 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.772 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -66.96 -39.11 87.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.663 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.03 -48.59 52.67 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.098 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.76 -50.79 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.842 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -11.08 4.22 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.698 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.66 -13.32 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 44.22 73.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -63.47 -72.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.491 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 25.8 t0 -159.81 -141.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.486 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 7.6 m -45.96 158.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 50.7 t -47.25 -42.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -44.02 -32.79 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.83 -54.32 4.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 36.8 mttp -54.16 -32.53 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.04 32.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.372 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.1 -44.5 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 57' ' ' LEU . 24.5 m -77.06 -45.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.628 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.5 tp -49.25 -57.75 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 111.27 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 tt -64.13 -32.83 58.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.455 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.3 -52.66 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -47.39 -55.83 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -58.83 -25.96 63.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.384 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -70.57 -39.12 68.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.603 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -78.8 30.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 110.754 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.85 167.22 34.69 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.665 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 Cg_endo -75.43 -15.66 19.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.958 2.439 . . . . 0.0 112.032 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -57.23 -25.81 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.536 . . . . 0.0 109.903 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -78.15 -25.99 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.911 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.5 p -54.16 -49.63 68.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.185 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.552 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 64.2 m -46.41 -53.26 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.64 -27.22 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.377 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.66 -38.75 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.96 -33.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.29 -42.69 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m-70 -66.96 -42.47 85.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.01 -30.93 71.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.2 -58.21 8.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.8 pp20? -66.82 -14.23 62.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.764 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.93 -49.76 6.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -138.12 78.48 34.34 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 122.7 0.4 . . . . 0.0 111.522 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.19 -23.91 10.5 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.586 2.191 . . . . 0.0 111.941 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.88 -73.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.91 -30.22 61.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 0.0 110.299 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -64.53 -13.14 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 p -62.85 -44.59 95.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.976 0.417 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -84.62 -14.81 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.4 mtp -119.1 28.63 8.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.204 0.601 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -134.21 58.14 0.69 Allowed Glycine 0 N--CA 1.469 0.891 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.918 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.0 -44.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 111.348 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 m170 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.923 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 17.0 p-10 -163.93 83.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -153.71 43.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -44.12 -56.8 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.633 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.9 mm? -50.77 -59.78 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 111.071 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.94 -64.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.596 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -59.86 -42.76 94.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.338 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HD2' HD12 ' A' ' 12' ' ' ILE . 30.5 mmtp -85.12 12.01 8.64 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.163 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 6' ' ' LEU . 35.5 ttp180 -62.43 -35.16 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.076 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -77.22 -28.32 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.366 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' HD2' ' A' ' 9' ' ' LYS . 62.7 mt -74.71 -68.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -51.07 -50.12 59.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.657 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 15' ' ' HIS . 9.7 tt -55.36 -50.39 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.4 m80 -89.73 55.72 3.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.257 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.09 121.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.513 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -88.13 138.42 15.04 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -34.39 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -72.61 -49.18 19.75 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.672 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 m -63.26 -36.45 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.609 HD11 HG13 ' A' ' 50' ' ' VAL . 9.4 mt -51.31 -62.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 111.263 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -52.7 -39.43 61.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.516 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.6 -28.03 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.404 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -72.52 -59.02 2.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.181 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.67 -32.43 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.43 -50.91 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 6.2 t -59.76 -41.28 90.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.76 -48.64 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.15 -42.02 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -47.95 -43.49 29.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.94 -18.66 53.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.443 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 65.4 34.86 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.92 -39.8 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.98 154.9 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.838 0.351 . . . . 0.0 110.668 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.0 t -91.45 148.06 22.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' O ' ' OE1' ' A' ' 37' ' ' GLN . 1.0 OUTLIER -46.06 -28.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.471 . . . . 0.0 110.058 179.232 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.03 -37.81 69.68 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 68.0 m-20 -71.63 -49.18 42.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tpt -49.16 -33.8 13.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 0.0 109.921 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -69.69 -38.24 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.61 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -50.74 -48.51 59.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.69 -47.86 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -53.18 -29.92 34.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.774 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -52.34 -19.6 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 43.95 79.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.984 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -59.26 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 49' ' ' THR . 34.8 t0 -160.34 -141.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 68.3 p -52.42 -168.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 22' ' ' ILE . 55.0 t -72.34 -23.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.8 mpp? -61.32 -42.99 99.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.322 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -80.84 -37.49 29.89 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.538 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.96 -41.72 77.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -74.55 -25.72 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -64.95 -48.39 74.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 57' ' ' LEU . 18.8 m -74.43 -46.64 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.437 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.2 tp -45.89 -52.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.32 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 19.7 tt -71.03 -26.02 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.205 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.7 -38.38 70.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.49 -44.48 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 72' ' ' PHE . 91.1 t -53.41 -61.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -48.95 -47.77 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.402 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -44.92 -42.95 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.786 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -77.17 28.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.01 170.78 36.51 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 98.3 Cg_endo -76.63 -13.64 18.04 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.91 2.407 . . . . 0.0 112.091 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.62 -24.65 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.329 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -80.47 -27.63 37.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 6.7 p -50.05 -50.63 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 13.4 m -45.47 -54.29 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 77.5 mttt -67.02 -25.96 66.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' A' ' 61' ' ' VAL . 56.3 t80 -73.41 -43.48 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.446 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.48 -31.78 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.337 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.18 -54.7 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -53.06 -30.49 36.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -74.08 -52.76 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.0 m -45.56 -28.27 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.363 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -80.31 -46.5 16.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.66 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -74.13 -52.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.622 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.28 97.96 51.36 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.181 0.592 . . . . 0.0 110.99 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -82.91 -13.49 9.22 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.587 1.524 . . . . 0.0 111.946 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -64.93 1.02 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.372 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.71 -44.91 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.152 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.32 -13.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t -54.18 -35.0 61.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 0.0 110.099 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.47 -36.94 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.466 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.2 mmm -92.77 15.24 15.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.727 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -106.39 45.71 1.27 Allowed Glycine 0 N--CA 1.468 0.797 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.718 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.976 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -35.48 -37.09 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 111.784 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.5 t60 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.947 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.353 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 8.7 p-10 -162.05 85.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 94.0 mm-40 -153.54 45.65 0.63 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.35 -60.76 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.02 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -45.51 -54.97 6.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -40.12 -53.39 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.501 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.23 -43.88 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.448 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HD2' HD12 ' A' ' 12' ' ' ILE . 66.4 mmtt -80.97 7.28 11.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.078 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 26.6 ttp180 -58.29 -41.39 84.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.4 -27.26 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 9' ' ' LYS . 95.5 mt -76.59 -70.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -47.5 -50.99 22.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.572 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.612 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 3.1 tt -54.07 -50.24 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.685 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.561 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.9 m170 -93.41 55.09 2.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.456 0.302 . . . . 0.0 111.208 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -171.42 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 111.216 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.3 p -62.77 127.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.557 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.86 142.76 22.77 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.413 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.09 -28.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.362 . . . . 0.0 111.244 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -63.28 3.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.696 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -42.89 -39.92 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.596 0.236 . . . . 0.0 111.217 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.405 HD11 HG13 ' A' ' 50' ' ' VAL . 64.8 mt -50.21 -56.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.021 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -53.86 -42.77 68.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.35 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.692 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -76.72 -58.43 3.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.315 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.72 -30.22 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.76 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.2 -47.14 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.393 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 7.7 t -60.5 -41.72 94.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.68 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -50.12 -47.22 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.424 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.75 -41.97 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.132 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.84 -39.21 68.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.607 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.5 -18.29 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 65.71 29.8 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.5 -43.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.936 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 pt -89.4 155.55 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.464 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.5 m -103.09 155.13 18.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.975 0.51 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.514 ' NE2' ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -44.39 -29.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.62 -48.17 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.02 -49.39 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.7 tpt -47.16 -33.58 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 3.0 m120 -72.25 -35.68 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.799 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -52.71 -47.05 67.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.89 -53.77 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -52.02 -15.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.111 0.481 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 31.2 t70 -69.39 -1.38 8.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.423 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER 32.73 99.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.786 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -76.34 -66.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.754 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 33.6 t0 -162.56 -140.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 50' ' ' VAL . 10.2 m -54.11 162.98 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.216 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' THR . 42.7 t -42.38 -47.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.47 -37.91 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.7 0.286 . . . . 0.0 111.27 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -45.37 13.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.538 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -59.38 -29.89 68.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.251 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.07 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.362 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' ' CD1' ' A' ' 14' ' ' ILE . 13.4 tpp85 -42.21 -47.58 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.2 m -75.36 -47.19 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.847 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.4 tp -50.26 -57.7 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.223 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 tt -61.16 -32.88 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.98 -50.85 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.447 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.59 -38.23 66.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.51 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.222 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -57.57 -19.57 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.55 11.86 17.27 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -138.58 47.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.918 0.487 . . . . 0.0 110.579 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.89 162.78 3.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.572 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.4 Cg_endo -75.46 -8.64 19.69 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.67 2.247 . . . . 0.0 111.87 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -60.43 -24.36 65.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.046 0.45 . . . . 0.0 110.567 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -80.87 -35.31 32.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.8 p -49.3 -45.96 45.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.499 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 78.5 m -53.33 -60.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 67.0 mttt -61.56 -29.93 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.252 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -65.76 -53.54 39.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.38 -33.55 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.71 -58.5 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.24 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 27.4 m-70 -54.02 -31.56 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.973 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.83 -33.74 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.235 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.43 -46.47 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.66 -24.06 56.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.682 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.96 -34.85 26.35 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 111.643 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -149.95 108.07 3.24 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 119.232 -0.414 . . . . 0.0 110.975 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.65 -29.7 1.7 Allowed 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 121.442 1.428 . . . . 0.0 111.956 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.25 -62.52 1.82 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.38 -52.51 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.052 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -51.25 -18.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.949 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -55.41 -36.56 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.859 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -80.92 -37.87 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.94 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 mtp -88.5 11.19 17.78 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.357 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -99.77 44.52 1.64 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.863 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.1 -33.97 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.082 0.553 . . . . 0.0 111.95 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLY . 53.9 t-80 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -162.35 86.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -154.02 50.77 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.259 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.96 -59.57 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -48.19 -57.11 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 111.027 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -55.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.502 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.92 -44.27 77.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.9 mmtp -83.05 12.54 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.9 ttp180 -65.05 -34.33 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -78.0 -29.39 49.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.435 HD12 ' HD2' ' A' ' 9' ' ' LYS . 89.3 mt -76.41 -65.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -49.3 -53.59 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -53.23 -49.7 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.615 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.577 ' N ' HG23 ' A' ' 14' ' ' ILE . 37.4 m80 -91.21 52.76 2.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -167.67 -52.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.9 p -43.2 124.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.25 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.34 144.02 24.25 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -26.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -62.21 2.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.674 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 m -42.94 -37.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.533 0.206 . . . . 0.0 111.257 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.471 HD11 HG13 ' A' ' 50' ' ' VAL . 67.3 mt -52.01 -59.32 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.687 0.28 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -52.26 -40.9 62.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.35 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -25.62 56.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.2 tm? -77.48 -58.15 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.58 -28.59 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.718 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -66.43 -44.19 83.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.22 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -62.59 -43.22 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.676 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.0 mt -49.18 -46.58 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.352 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 80.1 mt -56.14 -44.07 78.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.333 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -45.76 -44.88 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.338 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -79.89 -17.98 51.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 25.7 mt-10 64.81 32.31 11.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 p -75.37 -39.23 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.476 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 pt -88.52 153.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 39' ' ' ASP . 13.9 m -89.93 148.73 22.95 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.559 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -46.82 -33.62 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.055 0.455 . . . . 0.0 110.335 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -70.13 -34.14 72.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.499 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 50.7 m-20 -72.05 -51.53 21.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.2 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 40' ' ' MET . 3.3 tmm? -49.24 -31.49 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.559 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 49.2 m-20 -68.69 -41.86 78.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -50.5 -48.21 57.03 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 t -70.73 -48.96 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.029 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -11.57 27.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.706 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.07 -12.2 53.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.786 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 50.8 82.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.57 -49.75 17.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.6 t0 -171.62 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 35.5 p -66.26 179.67 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 HD11 ' A' ' 22' ' ' ILE . 56.0 t -55.9 -33.81 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -40.56 72.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 111.133 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.81 -37.06 21.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.897 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -70.01 -32.53 70.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -79.13 -35.59 41.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -56.7 -43.8 80.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.4 m -76.06 -46.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.621 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.1 tp -49.19 -56.17 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.345 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 18.2 tt -60.96 -38.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.376 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.67 -56.83 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.172 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.8 mt -44.71 -46.58 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.94 -59.77 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.242 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -58.49 -19.96 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.0 13.84 12.84 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 38.4 mmtm -138.18 44.99 2.12 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.893 0.477 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.87 162.99 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.0 Cg_endo -74.73 -9.66 21.27 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.762 2.308 . . . . 0.0 111.812 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.37 -25.54 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.982 0.42 . . . . 0.0 110.484 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.56 -31.57 41.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.1 p -49.55 -37.7 28.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.13 -69.01 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.061 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.3 mttm -49.48 -26.42 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.59 -53.37 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.162 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.7 -32.25 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.441 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -74.29 -51.83 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -59.66 -31.36 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.108 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.8 -33.62 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -58.99 -47.61 84.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.612 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.47 -24.51 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.94 -30.68 26.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.838 0.352 . . . . 0.0 111.267 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -149.75 99.89 3.31 Favored Pre-proline 0 N--CA 1.469 0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.42 -13.12 9.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.47 1.446 . . . . 0.0 111.829 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.02 -63.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.09 -47.03 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.835 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.47 -15.32 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.868 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 t -55.09 -37.06 66.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.93 -35.35 24.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mtp -92.86 16.0 13.48 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -105.65 44.56 1.45 Allowed Glycine 0 N--CA 1.468 0.788 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.303 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.93 -33.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.832 0.453 . . . . 0.0 111.86 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' GLY . 85.8 t60 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 10.8 p-10 -160.9 82.09 0.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.78 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -151.23 51.98 0.84 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.35 -60.55 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.865 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -48.39 -61.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.421 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -39.45 -50.8 2.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.768 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -70.07 -47.83 60.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -83.11 13.88 3.8 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.651 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.618 HH21 ' NH1' ' A' ' 55' ' ' ARG . 47.0 ttt-85 -61.06 -34.36 74.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -74.73 -26.63 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.282 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -77.71 -69.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.247 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -45.88 -51.37 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.461 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' N ' ' A' ' 15' ' ' HIS . 6.3 tt -55.41 -50.03 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.531 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.57 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.1 m170 -91.25 52.57 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 111.025 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -165.9 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' GLY . 5.8 p -44.12 166.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -146.22 147.24 18.07 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -33.96 -39.5 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.94 -56.17 26.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 m -65.09 -36.79 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.622 0.249 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 50' ' ' VAL . 82.7 mt -51.99 -59.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 111.409 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.523 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.46 -26.17 58.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.665 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.86 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.06 -26.72 64.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 110.612 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -65.37 -45.15 85.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.35 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.7 mt -49.93 -47.29 52.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.594 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 33' ' ' GLU . 54.0 mt -56.86 -43.57 81.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -45.62 -46.12 14.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.52 -18.06 55.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mt-10 65.95 34.18 7.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.95 -40.19 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 pt -89.18 156.02 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ASP . 58.7 m -97.83 151.05 20.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.517 ' NE2' ' C ' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -44.62 -31.76 1.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.67 -39.96 80.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.356 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 59.1 m-20 -71.56 -50.83 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 tpt -47.5 -32.33 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -72.81 -38.35 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -51.34 38.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.81 -49.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' NH1' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -57.39 -20.81 32.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.535 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -57.57 -19.3 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' OE2' ' NH1' ' A' ' 44' ' ' ARG . 46.5 mt-10 48.64 76.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -64.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -159.88 -141.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 50' ' ' VAL . 11.0 m -57.22 160.73 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.655 HG13 HD11 ' A' ' 22' ' ' ILE . 77.8 t -43.36 -26.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.569 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.35 -42.26 81.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -84.03 -38.82 20.4 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.602 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.13 -28.5 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.644 0.259 . . . . 0.0 111.243 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.02 -51.06 9.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH1' HH21 ' A' ' 10' ' ' ARG . 14.8 tpp85 -47.39 -42.42 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 57' ' ' LEU . 15.7 m -72.3 -51.49 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.368 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -47.62 -54.56 11.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.38 -24.8 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.513 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.96 -41.88 50.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.154 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.7 -40.75 93.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.71 -69.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -49.1 -17.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -78.53 -36.51 29.71 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.526 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 48.0 mmtt -77.65 29.56 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 67' ' ' LYS . . . 77.69 134.46 0.74 Allowed Glycine 0 CA--C 1.533 1.174 0 CA-C-O 118.921 -0.933 . . . . 0.0 112.342 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.0 Cg_exo -41.3 -16.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 CA-C-N 120.576 2.188 . . . . 0.0 113.196 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 65' ' ' GLY . 42.6 tttm -54.54 -26.53 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 110.537 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -82.55 -20.14 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.865 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.5 p -59.33 -39.42 83.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.431 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 m -54.26 -61.78 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.346 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 40.1 mttp -60.88 -27.75 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.361 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.81 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.2 mt -49.72 -36.03 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.63 -51.0 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.302 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.582 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.2 m-70 -59.87 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.11 -33.85 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.34 -49.47 77.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.756 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.91 -21.64 59.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.83 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 53.5 mm-40 -86.12 -31.91 21.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -147.65 98.85 3.86 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -82.45 -14.04 9.48 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.521 1.48 . . . . 0.0 111.963 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -71.99 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.283 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 85' ' ' SER . 4.3 tp -66.65 -49.5 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.797 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.81 -13.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 83' ' ' LEU . 32.5 t -54.61 -35.58 63.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.992 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.15 -35.75 19.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.296 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.2 mtp -90.72 12.4 19.24 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.469 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -97.76 41.37 2.3 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.191 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.626 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -31.68 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.991 0.516 . . . . 0.0 111.925 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.883 0.373 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 17.7 p-10 -160.65 80.56 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 4.1 mm-40 -145.31 56.37 1.23 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.246 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.53 -52.62 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.2 mm? -53.75 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.26 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -38.67 -54.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.704 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -66.12 -48.9 69.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.31 19.19 2.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.003 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 34.4 ttp85 -67.91 -38.05 82.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -74.28 -26.1 60.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -77.48 -68.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.29 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -46.01 -53.06 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.389 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.572 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.5 tt -53.6 -50.73 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.569 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.572 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.9 m80 -88.78 56.42 3.74 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -170.4 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.293 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -40.43 125.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.646 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.28 142.12 21.06 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.582 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -38.46 -39.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -63.77 3.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 m -42.67 -36.18 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 50' ' ' VAL . 92.1 mt -54.05 -52.11 39.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.71 0.29 . . . . 0.0 111.664 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -60.14 -40.15 88.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.404 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.55 -28.6 61.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.9 tm? -73.02 -58.59 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.317 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.1 -29.47 63.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.29 -51.71 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.265 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.743 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -59.11 -40.22 84.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.517 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 mt -55.82 -45.29 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.74 -38.18 66.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -58.14 -35.77 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.77 -18.05 62.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 66.48 27.11 9.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.019 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.46 -47.95 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 pt -90.99 155.3 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 120.947 0.404 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -104.17 164.7 11.54 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -48.48 -28.1 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.16 0.505 . . . . 0.0 109.799 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.89 -63.64 1.02 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.61 -44.18 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.241 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.3 tpt -49.16 -36.53 19.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -66.87 -36.81 83.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.008 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.04 -46.31 64.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.19 -53.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.04 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -57.24 -11.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.107 0.479 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.78 -16.22 6.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 43.89 65.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.05 -56.21 25.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' OD2' ' OD2' ' A' ' 52' ' ' ASP . 21.7 m-20 -159.86 -141.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.95 0.405 . . . . 0.0 110.784 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -60.46 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.268 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 44.9 t -61.47 -57.55 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtt -38.28 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 111.689 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' VAL . 20.0 t0 -86.77 -52.57 5.43 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.441 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' NZ ' HG21 ' A' ' 22' ' ' ILE . 8.7 mtmp? -60.25 -29.64 68.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -42.89 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -49.13 -45.94 44.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 57' ' ' LEU . 25.2 m -76.87 -43.99 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.626 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.444 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.2 tp -49.87 -56.44 10.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.241 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -65.98 -33.68 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.444 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -68.51 -33.32 73.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.79 -58.55 4.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.6 t -43.84 -52.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -56.97 -30.24 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -80.77 -38.61 15.86 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.676 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -75.65 28.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 84.58 155.13 22.29 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.454 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 65.6 Cg_endo -78.62 4.68 6.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.401 2.068 . . . . 0.0 112.005 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -62.86 -36.38 83.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -84.56 -11.22 56.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.45 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.4 p -57.97 -51.84 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m -60.51 -53.03 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -60.11 -36.11 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.5 -57.06 13.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.51 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -51.25 -38.97 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.607 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.26 -59.34 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.743 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.5 m-70 -50.98 -36.84 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.8 tp -63.99 -31.81 73.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 36.5 m -63.33 -48.65 77.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.7 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -77.45 -13.98 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.792 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -93.93 -35.15 12.8 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -149.89 77.59 8.45 Favored Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 120.636 0.255 . . . . 0.0 111.411 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.79 -28.12 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.697 2.264 . . . . 0.0 112.261 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.38 -72.02 0.16 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.47 -31.56 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.191 0.519 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -66.02 -15.03 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.659 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 p -59.76 -39.09 83.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -88.41 -22.11 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 45.2 mmm -112.29 24.42 12.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.135 0.574 . . . . 0.0 110.333 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -126.21 54.63 0.75 Allowed Glycine 0 N--CA 1.471 1.027 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.661 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.57 -36.1 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.622 -179.553 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 27.4 p80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.845 0.355 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.3 p-10 -165.0 94.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -154.6 61.75 0.67 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.85 -53.19 59.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.705 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.5 mm? -51.84 -63.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.938 0.399 . . . . 0.0 110.74 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.88 -57.46 0.81 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.815 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -62.96 -50.6 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' SD ' ' A' ' 87' ' ' MET . 36.6 mmtm -82.05 14.69 2.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.0 tpt180 -60.98 -38.55 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -75.04 -27.19 59.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.336 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -76.08 -71.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.243 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -46.58 -50.98 16.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.636 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 15' ' ' HIS . 2.6 tt -53.66 -49.89 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.43 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.549 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.2 m170 -91.75 52.55 2.05 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.209 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 m -168.37 -53.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.317 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 p -40.9 123.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.504 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -84.22 142.24 20.39 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.31 -0.472 . . . . 0.0 112.632 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.3 -20.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.291 . . . . 0.0 111.417 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.14 -60.16 2.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.693 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -51.61 -31.79 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 50' ' ' VAL . 85.2 mt -56.49 -47.39 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.738 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -65.06 -37.26 86.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.55 -27.42 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.19 -58.23 3.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.438 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -59.45 -32.93 70.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.39 -41.7 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 75' ' ' HIS . 7.3 t -65.8 -43.26 89.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.66 -47.95 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.629 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.4 mt -57.66 -44.56 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -46.22 -40.19 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.95 -20.93 40.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.2 mt-10 67.48 34.19 4.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.3 -37.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 pt -88.62 -168.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.332 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -144.76 156.79 44.24 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.977 0.418 . . . . 0.0 111.06 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 1.3 tm0? -42.5 -27.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.102 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.19 -54.54 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 5.0 m-20 -67.15 -47.48 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.684 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 ttt -46.57 -36.63 7.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.11 0.481 . . . . 0.0 110.288 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 4.8 m-20 -69.89 -37.9 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.768 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -51.42 -48.21 62.76 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.712 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.1 -51.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.991 0.424 . . . . 0.0 111.052 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.45 -21.63 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.868 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -55.46 -23.75 27.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 52.01 90.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -75.59 -64.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 21.5 t70 -160.81 -141.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.8 t -52.44 172.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 22' ' ' ILE . 48.3 t -53.25 -38.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -46.07 -40.1 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.714 0.293 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -80.93 -48.74 11.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.267 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 41.7 mttp -54.23 -34.25 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.187 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.74 -51.34 9.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -42.81 -45.34 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.58 -51.42 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.606 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.8 tp -47.24 -50.74 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.446 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.67 -26.87 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.38 -42.21 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.86 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.76 -59.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -50.26 -49.26 53.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -46.86 -39.82 11.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.648 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 29.3 mmtm -76.14 28.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.41 169.24 32.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.506 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 85.7 Cg_endo -75.33 -13.89 20.6 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.806 2.337 . . . . 0.0 111.974 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -58.9 -26.47 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.325 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -79.59 -27.84 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -52.2 -44.16 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.095 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 18.9 t -50.9 -56.8 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.258 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 72.3 mttt -63.88 -28.46 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.29 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -69.63 -41.9 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.5 mt -70.82 -39.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.42 -46.77 69.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.591 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 14.5 m-70 -60.28 -62.86 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -39.52 -39.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.767 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -60.88 -50.91 71.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.88 -11.91 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -107.92 -37.04 6.2 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.273 0.488 . . . . 0.0 112.099 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -134.52 74.28 66.21 Favored Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 120.888 0.375 . . . . 0.0 111.31 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -54.89 -26.41 48.42 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.02 2.48 . . . . 0.0 112.736 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -75.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.7 tp -53.54 -33.37 54.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -59.02 -10.28 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.554 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 t -64.51 -46.54 82.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.274 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -86.24 1.44 50.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.451 ' SD ' ' CB ' ' A' ' 9' ' ' LYS . 64.7 mmm -139.58 32.09 2.06 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.411 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -153.18 62.0 0.38 Allowed Glycine 0 C--N 1.334 0.451 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.58 -34.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.803 0.441 . . . . 0.0 111.687 -179.437 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.943 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.914 0.388 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.2 p-10 -164.43 88.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.724 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -151.81 56.33 0.85 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 89' ' ' LEU . 8.8 tt -56.89 -63.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.26 -41.23 5.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.991 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' LYS . 57.1 ttt-85 -58.17 -66.7 0.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.224 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -70.95 12.36 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.367 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' ARG . 41.1 mmtm -137.97 6.5 2.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.934 0.494 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' LEU . 55.0 ttp180 -64.56 -33.73 76.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 20.6 ptt180 -73.16 -26.0 61.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.07 -73.48 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -42.51 -47.71 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.494 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -60.45 -48.67 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.1 m80 -87.17 50.7 2.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.195 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -169.87 -52.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.205 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -41.46 122.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.024 0.44 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.59 144.24 23.08 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.29 -24.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.264 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -59.9 2.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.7 m -44.53 -37.62 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.584 0.231 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 50' ' ' VAL . 65.5 mt -51.47 -59.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.921 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.0 -40.73 64.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.472 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.91 56.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.594 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -77.02 -58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.262 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.37 -29.63 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.57 -44.53 90.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.438 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.584 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.2 t -63.99 -40.33 96.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 mt -50.24 -51.17 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.19 -40.62 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.477 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.29 30.18 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.54 -43.41 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.92 155.18 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.132 0.492 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.7 t -94.39 164.57 12.96 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -23.65 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -74.16 -40.94 62.24 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.461 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -73.42 -40.99 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 0.0 109.903 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 ttt -56.89 -30.2 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -72.03 -40.47 68.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.61 -45.68 48.38 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.03 -46.75 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.772 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -62.7 -21.41 65.74 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.153 0.501 . . . . 0.0 110.555 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.92 -3.68 2.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.157 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' ARG . 7.0 pt-20 35.61 83.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.552 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -171.83 -139.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . 5.6 p -64.19 -166.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.448 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 22' ' ' ILE . 56.4 t -66.7 -38.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.5 OUTLIER -53.86 -35.67 61.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 0.0 111.332 -179.386 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.04 -38.46 14.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.826 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' NZ ' ' C ' ' A' ' 49' ' ' THR . 28.5 mtmm -70.43 -27.59 64.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.75 10.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.465 HH12 ' CZ ' ' A' ' 10' ' ' ARG . 6.2 tpp180 -46.47 -43.82 17.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.889 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.8 m -75.65 -50.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.8 tp -47.65 -55.49 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.314 . . . . 0.0 111.198 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.25 -34.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.98 -50.55 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.122 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -51.53 -51.33 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 72' ' ' PHE . 64.2 t -47.04 -58.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.363 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 m -57.82 -12.79 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.318 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -68.56 -46.41 62.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.75 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 1.6 mppt? -77.12 29.43 0.14 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.878 0.371 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.02 178.18 46.71 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.562 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.55 -5.96 17.6 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.86 2.374 . . . . 0.0 112.009 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.58 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -80.64 -36.88 31.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -43.9 -36.01 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 m -57.38 -65.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -59.41 -30.74 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 61' ' ' VAL . 53.0 t80 -63.37 -60.47 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.21 -35.02 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.388 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.18 -48.0 46.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.274 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.584 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 15.7 m-70 -63.35 -43.04 98.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.081 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.0 tp -61.18 -34.36 74.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.44 -53.16 60.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -69.24 -19.29 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.578 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -89.73 -31.48 17.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.774 0.321 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -150.34 101.46 3.14 Favored Pre-proline 0 N--CA 1.471 0.603 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -82.48 -18.14 7.13 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.489 1.459 . . . . 0.0 112.054 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.64 -57.9 4.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.351 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.41 -51.16 55.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.2 -13.27 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.842 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.26 -33.89 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.219 0.533 . . . . 0.0 109.802 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -83.21 -38.72 21.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.044 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.532 ' O ' HD22 ' A' ' 89' ' ' LEU . 14.4 mmm -92.16 16.12 12.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.15 36.36 3.7 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.312 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.18 -35.69 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.837 0.351 . . . . 0.0 111.627 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.78 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.9 p-10 -161.84 80.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -146.67 49.15 1.15 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.36 -52.11 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -55.72 -59.53 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.215 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' NH1' HH22 ' A' ' 10' ' ' ARG . 40.3 ttm-85 -36.52 -59.06 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.985 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -70.08 -43.34 71.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.2 mmtp -83.07 17.75 1.88 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.993 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.538 HH22 ' NH1' ' A' ' 7' ' ' ARG . 20.6 ttp180 -72.44 -34.5 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 32.8 ptt85 -76.96 -26.21 53.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' A' ' 9' ' ' LYS . 69.8 mt -76.61 -69.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -48.39 -48.78 36.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.711 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.0 tt -59.15 -49.68 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.798 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.554 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.1 m80 -88.13 53.82 2.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.286 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 m -172.5 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 17' ' ' VAL . 11.0 p -41.43 130.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.6 156.6 29.22 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.2 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -50.97 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.95 -57.56 10.85 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ALA . 40.8 m -42.68 -60.57 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 mm -35.64 -40.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.116 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -70.58 -41.02 72.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' THR . . . -76.26 -23.77 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.522 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.62 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.16 -30.46 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.22 -42.06 93.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 5.6 t -67.4 -34.64 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.22 -51.77 66.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.655 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -54.69 -42.86 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -47.0 -45.33 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.321 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.75 -17.83 55.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.573 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 65.28 32.87 9.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -76.18 -38.18 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.269 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -88.21 156.93 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ASP . 49.8 m -98.68 149.49 22.76 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -42.73 -31.07 0.43 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.725 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.647 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 1.9 m-20 -72.41 -45.54 59.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -52.25 -31.26 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.917 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.419 ' O ' ' OD2' ' A' ' 45' ' ' ASP . 57.3 m-20 -71.86 -38.47 70.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -52.91 -49.82 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.21 -37.74 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 46' ' ' GLU . 22.9 tpt180 -63.45 -27.76 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 110.929 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLU . 23.1 m-20 -61.67 -5.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ASP . 5.8 pt-20 35.86 98.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.829 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -70.42 -71.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 49' ' ' THR . 3.3 p30 -161.6 -141.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 11.3 p -44.41 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.93 -34.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -49.24 -40.81 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -79.74 -49.83 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.221 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.32 -32.57 56.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.948 0.404 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -80.04 -42.12 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -56.51 -42.58 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 57' ' ' LEU . 28.5 m -77.01 -45.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.174 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.3 tp -54.71 -51.08 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 54' ' ' ALA . 17.9 tt -68.05 -27.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.244 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -71.63 -46.68 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -55.59 -50.27 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -48.61 -57.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -50.6 -42.32 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -53.27 -41.4 61.95 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.437 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 26.2 mmtm -75.32 27.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 76.08 166.9 22.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 97.9 Cg_endo -73.28 -14.52 25.53 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 111.698 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -59.66 -23.23 62.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -79.03 -33.9 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.827 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 8.7 p -43.11 -33.94 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.01 -58.98 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -63.9 -25.54 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.83 -58.93 3.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.41 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 50.4 mt -61.06 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -59.91 -52.9 63.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.577 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m-70 -60.75 -59.85 4.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 0.0 110.988 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.8 tp -40.97 -31.01 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 83.0 m -73.56 -38.3 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.452 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -11.12 60.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -115.05 -44.72 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 120.772 0.32 . . . . 0.0 111.087 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -116.73 92.57 38.48 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 123.278 0.631 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -83.86 -11.53 8.92 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.796 1.664 . . . . 0.0 112.227 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.511 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.97 -41.02 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.435 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -61.54 -17.56 55.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 p -54.55 -30.92 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.78 -38.44 15.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.7 mmm -92.71 13.4 20.25 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -97.89 40.52 2.48 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.209 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -31.75 -31.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.934 0.493 . . . . 0.0 111.927 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.5 t-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 12.8 p-10 -162.49 92.03 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -153.96 60.66 0.72 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.491 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.626 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -46.22 -56.87 5.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.885 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.45 -59.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.521 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -64.94 -43.82 91.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.399 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.92 6.39 11.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' NH2' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.86 -38.7 73.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.77 -29.89 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.338 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.79 -68.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -47.97 -53.29 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.393 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.4 tt -51.52 -49.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.563 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.6 m80 -91.83 57.7 3.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.493 0.317 . . . . 0.0 111.079 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -170.51 -57.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.54 131.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 154.31 26.39 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.171 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -26.92 13.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.34 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.04 -61.18 2.91 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.602 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 m -42.46 -38.8 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 50' ' ' VAL . 69.9 mt -51.9 -60.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.759 0.314 . . . . 0.0 110.949 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -51.31 -38.8 54.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 -27.72 53.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.375 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -73.94 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.527 -179.25 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.2 pp -57.8 -36.23 71.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 0.0 110.663 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 t70 -57.07 -44.03 82.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.664 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.85 -33.98 77.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.76 -34.99 76.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.79 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.74 -40.06 84.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.4 . . . . 0.0 110.17 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.35 -37.71 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.68 -21.87 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 69.28 28.7 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.78 -40.64 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 pt -89.27 -168.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.308 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -146.66 161.92 39.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -45.61 -25.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.517 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.25 -58.56 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.601 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.88 -48.45 71.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 tpt -45.64 -35.65 4.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -72.12 -36.28 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 2.2 tmtp? -53.01 -49.03 67.03 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.09 -38.49 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.0 tpt85 -62.45 -29.64 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.03 0.443 . . . . 0.0 110.813 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.0 p-10 -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.614 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 29.4 mt-10 49.96 94.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -75.48 -63.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.991 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -159.66 -141.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -50.08 179.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.34 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 22' ' ' ILE . 38.6 t -60.56 -44.21 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -41.79 -39.29 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.417 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -81.89 -48.91 10.94 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.261 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -54.26 -31.89 54.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.95 -50.51 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.686 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 39.6 tpt85 -42.46 -48.74 5.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG23 ' N ' ' A' ' 57' ' ' LEU . 13.2 m -74.46 -47.21 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.608 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.7 tp -49.28 -55.86 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 111.328 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.0 tt -62.87 -30.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.88 -46.04 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.534 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.49 -51.0 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 72' ' ' PHE . 68.1 t -46.06 -55.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -57.94 -48.88 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -43.6 -44.29 6.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -77.2 30.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.86 162.23 24.85 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.284 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 Cg_endo -74.98 -13.96 21.31 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.706 2.271 . . . . 0.0 111.773 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -57.03 -22.01 35.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.191 0.52 . . . . 0.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -78.04 -32.37 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 10.3 p -46.04 -51.73 13.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.572 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 86.2 m -46.42 -50.62 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 56.8 mttm -71.56 -23.39 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.43 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.5 t80 -73.55 -52.4 13.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.038 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.21 -29.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.375 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -75.95 -54.59 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.664 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 23.5 m-70 -57.17 -27.37 61.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.44 . . . . 0.0 110.516 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.16 -32.49 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.322 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -80.38 -28.0 38.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.928 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -53.64 6.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 111.586 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -131.11 77.29 75.1 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 122.828 0.451 . . . . 0.0 111.255 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.94 -29.53 35.75 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.699 2.266 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.81 -29.29 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 0.0 110.132 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -61.41 -10.99 8.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 p -69.04 -49.71 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -80.35 11.39 3.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.15 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.1 mtp -145.95 13.87 1.32 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -116.23 51.19 0.74 Allowed Glycine 0 N--CA 1.471 1.024 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.28 -34.59 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.892 0.477 . . . . 0.0 111.707 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLY . 16.7 t-80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -162.05 91.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -155.36 42.38 0.44 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 89' ' ' LEU . 9.4 tt -59.78 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.48 -52.74 7.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -61.02 0.69 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -69.91 -40.33 75.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.51 22.66 1.03 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' ILE . 41.4 ttp180 -75.55 -45.5 37.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -68.54 -27.44 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.28 -68.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.447 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -49.93 -56.85 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 111.277 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.2 tt -46.98 -50.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.455 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.5 m170 -91.86 55.17 2.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.436 0.295 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -168.19 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 111.335 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -39.57 124.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.821 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.71 23.98 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -42.66 -28.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.28 -63.22 2.42 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.73 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 m -42.58 -35.39 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.662 0.268 . . . . 0.0 111.335 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 93.4 mt -53.3 -60.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -53.72 -37.97 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.403 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.93 -27.3 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 111.428 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.09 -58.88 3.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.98 -27.62 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.91 -46.95 85.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.331 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -63.12 -41.97 99.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.9 mt -51.88 -45.32 64.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.563 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.0 -41.83 79.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -50.3 -40.87 49.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.56 -16.6 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 66.68 32.85 6.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.15 -45.75 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 pt -88.99 155.69 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.956 0.407 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 p -101.1 159.36 15.29 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.234 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -47.9 -27.23 2.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.45 -51.27 37.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.503 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 44.8 m-20 -65.9 -38.25 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 110.137 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.56 -29.48 62.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.676 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 42.0 m-20 -72.46 -42.08 65.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.04 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -49.45 33.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 t -73.66 -52.77 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.35 -12.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.934 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -13.91 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 44.56 64.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -50.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.509 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 3.8 m-20 -159.55 -141.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.7 p -55.93 163.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 54.6 t -45.28 -32.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -53.54 -40.02 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.916 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.34 -42.91 16.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 39.0 mttp -59.32 -37.3 77.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.43 -37.97 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.542 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.4 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.43 -39.22 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.871 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 111.513 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 59' ' ' ASP . 17.6 tt -56.84 -41.95 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.718 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 58' ' ' ILE . 8.8 t70 -61.87 -60.24 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.96 -46.42 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.4 -65.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 m -44.61 -49.97 9.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.238 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -42.99 -41.22 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.662 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 42.7 mmtm -77.29 28.44 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.6 172.2 40.65 Favored Glycine 0 C--N 1.329 0.158 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.664 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.1 Cg_endo -77.18 -13.99 16.84 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.888 2.392 . . . . 0.0 112.214 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -59.08 -25.76 64.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 t -81.21 -30.19 34.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.8 p -53.29 -49.68 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.201 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 15.5 t -41.99 -45.96 3.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.405 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -76.41 -27.32 56.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.65 -53.37 19.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.355 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.41 -35.48 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -73.66 -66.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.999 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 12.0 m-70 -43.62 -27.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.077 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 tp -76.18 -55.71 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -41.86 -32.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.523 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.11 -45.76 19.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.62 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -71.14 -53.85 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.642 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.41 97.19 48.98 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.265 0.626 . . . . 0.0 111.0 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -83.18 -13.05 9.11 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.691 1.594 . . . . 0.0 111.928 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -58.59 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.308 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 85' ' ' SER . 2.9 tp -64.85 -47.67 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.627 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.52 -11.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.722 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.3 t -57.28 -39.4 75.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.018 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -80.13 -33.61 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.974 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.605 ' O ' HD22 ' A' ' 89' ' ' LEU . 19.1 mtp -90.36 7.74 37.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.17 39.76 2.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.733 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.672 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -35.52 -46.24 0.39 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.098 0.475 . . . . 0.0 111.443 -179.438 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.536 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.879 0.371 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -59.53 4.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -48.17 -56.31 8.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.03 -69.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.558 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -57.37 -42.54 82.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HD2' HD12 ' A' ' 12' ' ' ILE . 54.9 mmtt -87.91 24.99 1.64 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.112 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.2 ttp180 -76.38 -31.8 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.682 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -76.75 -27.96 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.388 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 9' ' ' LYS . 49.0 mt -75.7 -70.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -47.37 -45.91 25.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.789 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.1 tt -62.22 -50.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.2 m80 -89.2 52.82 2.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.69 0.281 . . . . 0.0 111.312 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -171.13 -53.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.332 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.2 p -41.64 123.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.5 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 144.2 25.71 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.355 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.95 -22.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.97 -62.7 2.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -45.43 -37.82 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.5 0.19 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.15 -50.53 54.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.171 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -40.67 85.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.89 0.376 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.43 56.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.48 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.94 -57.95 3.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.322 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.36 -31.99 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -63.65 -43.52 96.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.6 t -63.53 -42.05 98.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.637 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -55.86 -43.66 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.436 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.52 -43.99 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -76.67 -19.63 57.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 67.58 28.77 7.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.86 -39.01 77.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.052 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.83 -169.32 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -138.97 156.95 46.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.789 0.436 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 9.0 tp-100 -45.97 -26.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.21 -52.32 24.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.7 -48.43 66.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpt -47.45 -33.91 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.498 ' N ' HD22 ' A' ' 41' ' ' ASN . 2.1 m120 -72.67 -36.04 67.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -51.85 -52.7 47.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 t -69.9 -45.25 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.644 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -52.97 -31.79 42.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.582 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.96 -26.68 6.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 51.45 98.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -76.09 -71.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 49' ' ' THR . 25.0 t0 -160.66 -141.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 50' ' ' VAL . 88.7 m -42.84 158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.508 ' N ' HG22 ' A' ' 49' ' ' THR . 42.8 t -46.87 -41.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.758 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtp -45.49 -33.95 2.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.825 0.345 . . . . 0.0 111.02 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.72 -50.72 7.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.498 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 9.2 mtmp? -60.62 -24.13 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.461 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.45 -55.32 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -44.55 -40.29 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.0 m -75.4 -41.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.534 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -63.02 -50.73 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 tt -62.35 -35.79 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.404 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -71.26 -59.52 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.59 -41.68 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 57' ' ' LEU . 74.4 t -60.62 -68.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.668 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -43.84 -35.75 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -54.41 -39.09 64.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -75.98 27.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.91 172.62 39.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.406 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.05 -10.66 23.0 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.829 2.353 . . . . 0.0 111.875 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -61.34 -29.45 69.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -79.18 -41.49 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.2 p -42.42 -35.4 1.02 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.194 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 m -57.44 -65.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -56.62 -32.32 65.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.26 -34.15 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.456 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.96 -58.99 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 4.3 m-70 -55.2 -39.1 69.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.12 -38.68 92.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 97.6 m -56.99 -45.47 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.573 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.16 -25.73 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.745 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -81.48 -33.06 32.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.472 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -150.31 103.76 3.12 Favored Pre-proline 0 N--CA 1.471 0.578 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.913 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.58 -14.88 10.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.423 1.416 . . . . 0.0 111.874 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -65.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.358 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 85' ' ' SER . 18.2 tp -61.39 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.072 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.06 -6.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.9 t -66.1 -45.06 82.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.304 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -79.77 3.26 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.359 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 41.6 mmm . . . . . 0 N--CA 1.473 0.688 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.235 -179.763 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.66 -45.33 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.2 mm? -56.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt-85 -39.33 -53.11 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.635 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -65.36 -49.84 67.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -84.13 17.2 2.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.4 ttp85 -66.87 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -77.44 -29.29 52.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.4 mt -75.96 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.979 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -57.77 -56.03 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.282 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.6 tt -48.39 -49.95 12.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.341 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.557 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.8 m80 -92.34 55.65 2.59 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -167.26 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 0.0 111.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -42.29 122.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.25 142.97 22.56 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.578 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.72 -28.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 0.0 111.692 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -75.72 -62.19 2.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.757 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -45.48 -34.71 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 88.8 mt -53.63 -52.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.718 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -61.52 -40.15 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.489 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -26.75 60.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.2 tm? -74.2 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.23 -31.27 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.87 -48.45 80.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -59.77 -42.84 94.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.33 -44.5 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 35.2 mt -60.69 -41.03 94.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.52 -42.13 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.002 0.43 . . . . 0.0 110.148 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.31 -17.9 44.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.348 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.7 mt-10 65.33 38.58 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.21 -40.31 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -89.05 155.39 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.865 0.364 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' ASP . 55.2 m -95.09 145.83 24.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.681 ' NE2' HD21 ' A' ' 41' ' ' ASN . 14.0 tm0? -41.2 -33.24 0.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.928 0.394 . . . . 0.0 111.055 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.299 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -66.84 -50.03 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 ttt -47.91 -33.6 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.459 . . . . 0.0 109.783 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.681 HD21 ' NE2' ' A' ' 37' ' ' GLN . 2.2 m120 -69.8 -36.28 75.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.504 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.11 -46.48 68.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.922 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 tpt85 -58.25 -11.03 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.046 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.49 -19.35 47.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 52.41 80.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -74.8 -62.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 49' ' ' THR . 16.6 t70 -160.71 -140.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.48 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 41.2 p -60.3 175.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.418 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 49.5 t -52.25 -32.46 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.45 -43.66 55.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.29 . . . . 0.0 111.191 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.6 -43.05 21.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 42.5 mttp -58.73 -36.34 74.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.244 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.61 -44.99 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -50.88 -43.56 59.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.8 m -78.17 -46.58 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.511 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.7 tp -52.82 -52.28 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.047 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 tt -65.05 -32.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.44 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.28 -51.61 43.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.411 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.13 -49.79 50.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.001 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.3 t -49.97 -59.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -56.87 -28.21 61.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -64.71 -39.85 96.99 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 27.4 mmtm -77.27 28.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.755 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.8 170.98 39.12 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.9 Cg_endo -75.06 -10.82 21.28 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.801 2.334 . . . . 0.0 111.92 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -29.24 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -77.16 -36.28 55.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 3.4 p -44.34 -45.15 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.39 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.482 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m -54.42 -54.86 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 53.4 mtmt -69.18 -19.11 63.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.388 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -75.34 -53.2 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.14 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.0 mt -61.33 -37.25 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.428 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -67.26 -48.56 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.307 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.5 m-70 -64.52 -46.95 80.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.38 -33.79 68.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.57 -52.52 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.513 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.604 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -90.83 -30.69 16.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.806 0.336 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -150.15 99.16 3.26 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 -14.76 9.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.466 1.444 . . . . 0.0 111.992 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -71.92 -62.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.8 -48.6 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -14.87 0.64 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -54.11 -35.3 62.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.517 . . . . 0.0 109.728 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 1.8 mptp? -86.79 -35.98 18.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.158 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.0 mtp . . . . . 0 N--CA 1.469 0.492 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.622 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.989 0.424 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -41.73 -56.28 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.5 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -52.78 -60.84 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -64.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.753 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.37 -41.3 96.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -85.1 12.55 7.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.88 -48.51 81.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -59.83 -26.22 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.54 -72.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.514 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -45.27 -53.58 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.486 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.544 HG23 ' N ' ' A' ' 15' ' ' HIS . 8.2 tt -51.6 -50.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.576 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.544 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.2 m80 -97.17 52.96 1.16 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.61 0.364 . . . . 0.0 111.028 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.1 m -167.63 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.4 p -42.05 126.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.475 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.01 140.66 20.98 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.74 -27.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.383 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -62.38 3.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.691 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.7 m -44.39 -36.32 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.564 0.221 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG21 ' HZ3' ' A' ' 53' ' ' LYS . 74.1 mt -55.02 -48.37 75.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.68 -39.74 92.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.875 0.369 . . . . 0.0 111.195 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 -26.58 55.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.526 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -75.31 -57.79 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.419 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.14 -35.95 70.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.754 0.311 . . . . 0.0 110.744 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.3 -44.56 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -62.32 -43.22 99.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -49.39 -47.08 48.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.8 mt -57.39 -43.36 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.381 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.63 -45.42 13.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 10.1 m-20 -79.03 -19.29 51.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LEU . 9.7 mt-10 66.14 34.22 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.38 -40.59 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.9 pt -89.14 156.24 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.316 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.2 t -99.7 153.75 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.523 HE21 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -46.49 -27.36 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.199 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.523 ' N ' HE21 ' A' ' 37' ' ' GLN . 73.9 mm-40 -70.14 -39.25 75.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.17 0.51 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 60' ' ' LEU . 1.2 m-20 -73.92 -55.13 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.991 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -48.01 -29.45 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.101 0.477 . . . . 0.0 109.891 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 1.7 m120 -72.23 -39.33 68.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -55.57 -50.34 70.31 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -70.47 -46.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -59.53 -21.85 60.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 110.651 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.3 -17.88 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 53.8 93.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.8 -59.24 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.3 t70 -162.23 -140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.461 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 9.3 t -62.06 -175.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.354 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 49' ' ' THR . 51.7 t -58.99 -33.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.167 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -56.89 -39.03 73.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.57 -36.28 22.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.666 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HZ3' HG21 ' A' ' 22' ' ' ILE . 6.9 mtpm? -69.81 -35.36 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 -38.94 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -55.69 -41.2 73.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.023 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.71 -42.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.513 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.1 tp -60.96 -48.34 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.215 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.75 -34.62 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.455 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.49 -56.3 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 39' ' ' ASP . 16.1 mt -43.31 -50.94 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 57' ' ' LEU . 86.7 t -51.81 -59.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 m -56.78 -17.82 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -71.2 -38.16 63.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -77.31 29.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.44 171.39 41.33 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.448 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 Cg_endo -73.57 -2.39 12.1 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.792 2.328 . . . . 0.0 111.9 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -28.65 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.24 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -81.35 -32.52 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 2.7 p -47.73 -35.93 10.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.04 -71.77 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 32' ' ' ASP . 30.5 mtpt -48.1 -26.53 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.174 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.54 -42.42 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.425 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.63 -35.14 68.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.137 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' A' ' 74' ' ' LYS . 1.2 mptm? -75.0 -42.76 56.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.79 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 5.0 m-70 -65.1 -39.5 93.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.96 -30.89 70.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.18 -52.73 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.536 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.07 -19.77 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.811 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -87.36 -37.74 16.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -150.6 77.35 7.98 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-O 120.683 0.278 . . . . 0.0 111.385 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.21 -23.02 12.28 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.662 2.241 . . . . 0.0 112.251 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -74.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.79 -35.65 61.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.19 -11.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 t -64.32 -48.62 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.101 0.476 . . . . 0.0 110.122 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' ' HE3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -85.4 6.27 27.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.7 mtp . . . . . 0 N--CA 1.469 0.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.591 -179.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.06 -64.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.86 -56.52 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -35.75 -63.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.123 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.467 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -88.4 23.75 2.11 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.97 -29.99 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -75.46 -27.82 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.199 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.18 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.461 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -50.84 -56.88 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.292 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 15' ' ' HIS . 15.4 tt -47.85 -51.53 8.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.277 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.594 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.1 m80 -92.48 52.04 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -164.65 -55.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.1 p -42.87 123.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.89 142.21 21.44 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.64 -33.84 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.743 0.306 . . . . 0.0 111.732 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -63.17 3.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -45.19 -42.13 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.315 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 50' ' ' VAL . 85.6 mt -45.97 -51.88 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.698 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -60.31 -42.54 95.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.438 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.19 -23.34 59.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.733 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -77.51 -59.21 2.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.57 -31.88 62.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -61.65 -50.33 72.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.48 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 6.3 p -56.84 -39.89 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 64.1 mt -51.9 -47.47 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.97 -43.7 73.72 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -48.02 -42.0 27.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -77.08 -18.66 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.9 33.22 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.8 -43.79 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.83 -169.21 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.446 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' GLU . 15.8 m -144.0 151.01 39.15 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.749 0.419 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' A' ' 41' ' ' ASN . 13.9 tm0? -36.93 -28.31 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.758 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' SER . 80.0 mm-40 -69.67 -54.4 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -66.33 -46.46 76.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.244 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 40' ' ' MET . 1.0 OUTLIER -48.42 -33.96 10.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.13 179.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.66 HD21 ' NE2' ' A' ' 37' ' ' GLN . 2.8 m120 -70.64 -38.47 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -48.26 -48.94 35.11 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.934 0.397 . . . . 0.0 110.174 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.69 -49.48 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.094 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -3.8 3.28 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.47 -11.55 59.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 57.19 76.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -69.19 -78.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.97 -140.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 50' ' ' VAL . 23.9 m -53.67 159.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 22' ' ' ILE . 55.8 t -45.97 -25.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.2 -39.49 90.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.53 -36.79 21.93 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.661 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 8.0 mtmp? -73.03 -34.34 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.1 -34.46 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 73.7 ttt-85 -61.79 -38.64 88.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -78.33 -42.66 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.67 -51.45 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 111.198 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.4 tt -64.4 -36.19 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.521 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.98 -56.69 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.519 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.43 -49.02 36.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.276 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.3 -59.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.178 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -57.96 -18.38 23.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.363 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.8 -36.3 37.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.66 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -79.93 31.25 0.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 167.94 41.91 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.798 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.47 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.2 Cg_endo -75.99 -16.09 18.26 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.964 2.443 . . . . 0.0 112.14 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -58.49 -23.8 58.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -79.4 -37.1 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.9 p -46.89 -45.98 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 98.8 m -52.3 -60.21 3.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.29 -34.18 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -61.91 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.82 -31.03 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' CYS . 91.2 mttt -73.23 -67.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.337 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 80.4 m-70 -44.14 -30.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.51 -35.08 63.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' LYS . 89.9 m -57.83 -45.27 86.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.635 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.57 -25.56 41.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.975 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -82.88 -30.99 28.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -150.08 101.02 3.2 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.88 -11.28 11.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.366 1.378 . . . . 0.0 111.851 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -76.19 -64.37 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' C ' ' N ' ' A' ' 85' ' ' SER . 5.9 tp -63.69 -46.88 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 109.773 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.76 -12.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.543 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 83' ' ' LEU . 18.2 t -65.2 -45.4 84.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.989 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.63 12.94 2.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 19.8 mtp . . . . . 0 N--CA 1.466 0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.94 0.4 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.65 -68.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.238 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -42.49 -53.48 4.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 111.061 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -57.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.0 -40.05 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.388 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.91 15.19 3.48 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.3 ttp85 -66.19 -39.41 89.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.37 -26.05 58.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.13 -69.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.185 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -48.44 -54.24 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.311 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.9 tt -51.16 -50.05 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.497 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.8 m170 -91.28 53.04 2.22 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.496 0.318 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -170.3 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.307 . . . . 0.0 111.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -56.57 124.26 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.394 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.17 145.84 23.5 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.577 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 -30.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.25 -63.97 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -42.12 -36.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.577 0.227 . . . . 0.0 111.417 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.521 HD11 HG13 ' A' ' 50' ' ' VAL . 78.2 mt -53.74 -56.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.003 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -54.96 -40.13 69.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.785 0.326 . . . . 0.0 111.312 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.8 -27.37 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.578 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.18 -58.07 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.257 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.26 -28.56 65.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.0 0.428 . . . . 0.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.75 -48.47 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.336 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 5.8 t -59.99 -44.19 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -47.54 -47.94 27.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.89 -45.28 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.31 -38.57 28.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.79 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.68 -19.7 54.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 66.04 31.15 9.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.75 -41.8 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.32 -168.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 m -145.92 159.23 43.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.939 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 18.0 tp60 -43.29 -27.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.98 -52.37 29.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.29 -51.37 37.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.32 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.5 tpt -46.14 -31.18 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.529 ' N ' HD22 ' A' ' 41' ' ' ASN . 1.2 m120 -75.08 -39.53 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -51.99 -48.05 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.053 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.17 -49.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.475 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -16.7 36.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -62.73 -17.34 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 56.25 88.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -75.96 -61.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -160.15 -141.54 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 50' ' ' VAL . 24.7 m -65.79 167.65 9.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.59 ' N ' HG22 ' A' ' 49' ' ' THR . 53.7 t -42.39 -46.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -43.77 -38.11 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.168 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -84.13 -45.65 12.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.693 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -63.37 -23.4 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.75 0.31 . . . . 0.0 111.434 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.07 -54.97 4.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -44.73 -40.63 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 57' ' ' LEU . 26.1 m -76.53 -40.63 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.491 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 11.2 tp -61.48 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -68.74 -27.21 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.428 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.94 -43.9 28.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.66 -42.28 83.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.4 -57.2 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -55.39 -12.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.17 -47.89 68.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.585 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 1.6 mptp? -76.38 28.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 110.776 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.1 177.81 48.31 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.624 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 90.0 Cg_endo -74.15 -5.14 16.52 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.81 2.34 . . . . 0.0 111.949 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.31 -42.81 99.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.329 0.585 . . . . 0.0 109.519 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -64.53 -36.05 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.388 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 1.2 p -42.07 -37.95 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.4 m -54.49 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 59.7 mmtt -58.84 -27.78 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -70.58 -54.0 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.316 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.02 -41.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.49 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -68.21 -56.61 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.583 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 6.5 m-70 -54.1 -29.9 46.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.5 tp -74.21 -32.87 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.7 -47.46 84.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.2 pp20? -77.37 -23.9 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 60.0 mm-40 -83.16 -34.58 25.96 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -146.2 105.39 4.11 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.954 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.05 -17.14 9.53 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 121.354 1.37 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.577 ' NE2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -73.68 -72.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' N ' ' NE2' ' A' ' 82' ' ' GLN . 13.2 tp -53.01 -41.94 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 109.971 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.52 -9.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.825 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' LEU . 41.9 t -65.96 -48.15 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.924 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -81.67 13.47 3.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.037 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.6 mtp . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 N--CA 1.463 0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -53.87 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.0 mm? -41.68 -33.47 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.253 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.27 -62.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -72.27 10.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.269 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' ARG . 20.6 mmmt -139.42 11.64 2.54 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.756 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.618 ' NH2' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -67.4 -29.73 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.202 179.411 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -76.34 -32.4 58.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.69 -60.64 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.295 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.33 -57.94 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 111.016 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 15' ' ' HIS . 18.7 tt -49.48 -50.73 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.384 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.604 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.2 m80 -88.76 54.78 3.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -170.21 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 111.24 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.7 p -40.43 124.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.535 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.18 146.66 24.03 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.19 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.95 -60.36 2.94 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.611 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.0 m -43.84 -35.83 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.6 0.238 . . . . 0.0 111.374 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 HG13 ' A' ' 50' ' ' VAL . 74.6 mt -53.9 -60.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.047 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.89 -38.24 61.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.5 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -28.36 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.542 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.2 -58.15 3.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.258 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.94 -28.1 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.759 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -63.63 -46.11 87.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.28 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 11.2 t -63.59 -42.57 98.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.885 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.3 mt -49.34 -49.1 45.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.613 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.8 mt -55.39 -43.59 75.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.394 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -46.65 -42.45 16.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.08 -18.59 49.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' LEU . 28.2 mt-10 65.84 35.19 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.48 -42.23 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 pt -88.93 156.75 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.77 0.319 . . . . 0.0 110.2 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' ASP . 14.6 p -96.23 150.28 20.71 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.978 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.677 ' NE2' HD21 ' A' ' 41' ' ' ASN . 16.5 tm0? -46.53 -23.08 0.34 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.17 -42.58 55.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' SER . 14.3 m-20 -71.65 -46.02 60.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.7 tpt -51.02 -35.2 32.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.702 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.677 HD21 ' NE2' ' A' ' 37' ' ' GLN . 1.9 m120 -68.61 -36.95 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.551 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.47 -49.38 61.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.31 -38.92 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -72.0 -10.39 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.26 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.49 -10.79 54.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 54.19 89.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.207 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -78.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' THR . 29.4 t0 -161.73 -140.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.723 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 78.8 p -63.54 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG13 HD11 ' A' ' 22' ' ' ILE . 52.9 t -63.98 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -53.12 -34.39 56.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.996 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -87.31 -41.69 13.46 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 111.224 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.4 -53.17 7.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NE ' ' NH2' ' A' ' 10' ' ' ARG . 34.3 tpt85 -42.7 -45.18 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.228 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 57' ' ' LEU . 23.4 m -76.35 -39.7 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.752 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 56' ' ' VAL . 7.1 tp -58.16 -58.05 10.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.65 -34.41 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -67.61 -54.81 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.96 -55.12 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -45.8 -54.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -58.29 -28.05 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -69.45 -34.74 74.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 29.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.69 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 80.54 166.3 34.52 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.6 Cg_endo -74.11 -15.31 23.19 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.824 2.35 . . . . 0.0 111.925 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -58.79 -27.17 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.1 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 t -76.85 -39.98 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.986 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -43.72 -39.44 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.87 -64.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -51.65 -38.38 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -57.55 -56.06 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 68.1 mt -54.57 -32.87 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -74.88 -50.13 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.31 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.582 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 1.2 m-70 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.51 -37.94 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 68.3 m -60.7 -38.74 86.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.048 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -79.61 -26.96 41.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.562 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.09 -55.35 5.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.793 0.33 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.68 106.69 26.38 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.358 0.663 . . . . 0.0 110.503 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -81.09 -20.3 7.49 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.317 1.345 . . . . 0.0 112.094 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -66.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.4 tp -59.6 -43.18 93.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.311 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.42 -10.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 83' ' ' LEU . 38.4 t -61.2 -42.38 98.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -86.26 -18.29 32.47 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.41 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.7 mtp . . . . . 0 N--CA 1.477 0.891 0 C-N-CA 123.205 0.602 . . . . 0.0 110.708 -179.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.855 0.36 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -64.03 -51.56 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -52.14 -59.29 4.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 110.968 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -38.0 -57.08 1.08 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -67.86 -45.41 74.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.833 0.349 . . . . 0.0 111.2 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 12' ' ' ILE . 63.2 mmtt -81.86 13.96 2.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' ILE . 23.9 ttp-105 -64.98 -36.93 85.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -78.02 -31.04 50.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 9' ' ' LYS . 98.4 mt -75.33 -57.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.354 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.73 -57.8 10.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 15' ' ' HIS . 7.9 tt -47.26 -51.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.6 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.8 m80 -89.39 53.92 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 m -167.85 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.208 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.0 p -41.19 122.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.358 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.66 143.45 22.49 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.47 -24.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.735 0.303 . . . . 0.0 111.474 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.96 -62.13 2.41 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.775 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -45.47 -34.43 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 0.0 111.454 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 50' ' ' VAL . 87.1 mt -53.69 -59.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -55.46 -37.26 67.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.37 -27.36 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 111.424 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -74.54 -59.2 2.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.76 -29.16 67.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -62.57 -44.35 96.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -64.83 -42.71 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.826 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -51.23 -46.47 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' GLU . 58.9 mt -56.71 -44.57 81.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.346 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -45.64 -45.84 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.727 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.4 -17.7 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.512 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' LEU . 14.1 mt-10 66.06 34.87 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.36 -41.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 pt -89.2 155.9 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.797 0.332 . . . . 0.0 110.378 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ASP . 62.3 m -96.78 150.94 20.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.77 HE21 HD21 ' A' ' 41' ' ' ASN . 60.9 tp60 -45.73 -32.3 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.23 -38.03 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' SER . 58.6 m-20 -73.58 -52.76 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.311 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.5 tpt -48.14 -31.14 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.0 109.881 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.77 HD21 HE21 ' A' ' 37' ' ' GLN . 2.6 m120 -71.64 -39.82 70.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.578 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -48.32 37.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 t -70.72 -45.08 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.25 -0.97 27.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ASN . 17.6 t70 -64.9 -6.76 9.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.99 72.09 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -77.25 -75.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.74 -141.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -64.72 -168.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 55.5 t -64.74 -34.67 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -36.5 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.15 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -86.83 -40.41 14.95 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.667 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -68.61 -29.7 68.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 111.278 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.8 -54.11 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -43.0 -45.08 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 57' ' ' LEU . 19.9 m -72.81 -49.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.0 tp -46.77 -55.62 7.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.145 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.56 -29.28 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -68.63 -43.72 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -55.45 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.64 -53.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -35.71 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.307 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -59.34 -39.09 94.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 29.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.72 169.25 35.74 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.601 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.6 Cg_endo -74.82 -12.52 21.92 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.853 2.368 . . . . 0.0 111.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -59.62 -25.23 64.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -81.14 -28.26 35.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.3 p -54.15 -39.91 66.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 95.6 m -56.67 -65.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.4 mttt -57.52 -31.46 66.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.69 -51.37 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.8 mt -62.69 -34.48 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.346 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.09 -42.97 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.536 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 39.5 m-70 -69.26 -52.6 26.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.34 -33.61 13.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.9 m -63.31 -61.77 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.21 -2.55 2.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.558 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -104.62 -37.45 7.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.713 0.405 . . . . 0.0 111.614 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -150.4 77.49 8.09 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-O 120.758 0.313 . . . . 0.0 111.496 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.97 -26.26 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -69.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.07 -36.29 83.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.56 . . . . 0.0 110.466 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.3 -18.01 46.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 p -57.39 -37.32 72.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.22 -31.08 23.37 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.067 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.0 mtp . . . . . 0 N--CA 1.473 0.682 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.329 179.702 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.83 0.347 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.23 -56.28 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.607 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -49.34 -59.25 3.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.687 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -55.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.319 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.5 -48.32 78.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -81.87 10.95 5.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.8 tmt_? -60.57 -37.49 81.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.74 -28.59 55.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -78.01 -68.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -46.06 -50.41 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.483 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -56.93 -49.52 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.571 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.7 m170 -93.68 56.71 2.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.546 0.339 . . . . 0.0 111.182 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.6 m -172.09 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.1 133.45 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.599 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.66 151.72 21.06 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.92 -18.92 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.03 -62.67 2.3 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 m -47.24 -37.38 10.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.611 0.243 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 HG13 ' A' ' 50' ' ' VAL . 65.3 mt -53.0 -56.69 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.917 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -55.0 -40.55 70.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.769 0.318 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB1' ' OE2' ' A' ' 79' ' ' GLU . . . -75.36 -26.72 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.688 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.4 tm? -75.83 -58.2 3.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.87 -31.45 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.11 -43.88 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.225 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.581 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 10.2 t -62.36 -42.9 99.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.551 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -48.63 -45.48 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.93 -40.72 89.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.242 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.78 -45.61 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.407 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.441 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 6.1 m-20 -80.89 -17.2 51.43 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.395 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 64.97 38.07 6.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.4 -39.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.4 pt -89.02 154.57 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' ASP . 64.6 m -97.93 149.75 22.07 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.369 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -41.86 -31.67 0.34 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.42 -41.82 79.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.396 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 m-20 -72.19 -43.02 65.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.237 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 ttt -55.81 -25.37 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -76.94 -39.88 49.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.048 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -51.09 51.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.948 0.404 . . . . 0.0 109.996 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.37 -52.58 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.689 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -55.22 -10.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.462 . . . . 0.0 111.021 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.17 -16.17 61.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.697 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.65 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -73.68 -81.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 49' ' ' THR . 28.1 p30 -161.85 -138.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 10.6 p -40.38 165.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.613 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 22' ' ' ILE . 41.1 t -61.27 -39.85 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpp? -44.81 -38.74 4.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.148 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.46 -49.46 10.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.501 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -56.8 -31.04 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.423 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -46.97 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.87 -37.94 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.749 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.53 -46.84 81.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.433 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.1 tt -69.37 -28.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.749 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -71.73 -43.93 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD22 ' OD2' ' A' ' 39' ' ' ASP . 12.0 mt -58.3 -48.81 79.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.57 -60.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -52.97 -42.15 65.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -52.58 -37.72 50.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.503 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.51 28.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.787 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.02 170.41 35.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.533 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.2 Cg_endo -74.86 -10.58 21.52 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.85 2.367 . . . . 0.0 112.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -80.52 -32.88 36.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.1 p -50.1 -46.38 53.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.518 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 36.6 t -53.63 -61.9 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.194 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.18 -36.44 75.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -58.13 -51.21 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.76 -30.15 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.384 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -72.76 -47.14 49.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.581 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 40.1 m-70 -65.62 -40.7 92.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 tp -60.71 -32.89 72.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.82 -54.66 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.433 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.95 -13.0 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.741 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' OE2' ' HB1' ' A' ' 24' ' ' ALA . 52.4 mm-40 -93.1 -38.84 11.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.33 76.97 8.33 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 120.756 0.312 . . . . 0.0 111.432 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.98 -19.69 6.03 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.68 2.254 . . . . 0.0 112.077 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -69.45 -75.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.634 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.4 tp -53.7 -39.23 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.598 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.47 -9.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.811 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.5 t -65.94 -49.0 69.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.087 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -83.71 11.14 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.173 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.1 mtp . . . . . 0 N--CA 1.468 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.395 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.962 0.411 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -65.49 -77.71 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.656 -179.27 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.5 mm? -45.51 -60.04 2.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 110.866 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.79 -55.56 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.861 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.74 -48.6 65.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.729 0.299 . . . . 0.0 111.353 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -87.78 24.06 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 48.3 ttt-85 -76.86 -52.56 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.003 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -45.36 -29.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.26 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -78.63 -64.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.492 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -44.5 -53.3 7.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 15' ' ' HIS . 11.0 tt -56.34 -50.2 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.586 ' N ' HG23 ' A' ' 14' ' ' ILE . 45.6 m80 -88.62 52.28 2.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 m -170.29 -57.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.721 0.296 . . . . 0.0 111.419 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -37.15 130.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.884 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.36 149.63 22.08 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.681 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.45 10.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 111.395 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.96 -46.28 17.41 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.9 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -57.73 -35.84 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.577 0.227 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.52 HD11 HG13 ' A' ' 50' ' ' VAL . 72.5 mt -53.04 -61.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 110.981 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.22 -40.43 47.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.232 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.6 59.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.587 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.405 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.19 -27.16 65.44 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -67.68 -42.32 82.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.288 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.8 t -65.05 -42.98 93.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.719 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -50.93 -44.55 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.6 mt -57.94 -44.61 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.31 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -46.32 -44.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.37 -17.57 56.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.634 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 32.7 mt-10 64.76 34.34 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.37 -41.71 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.17 155.76 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.895 0.378 . . . . 0.0 110.354 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' ASP . 43.1 m -95.08 150.0 20.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 3.6 tp-100 -44.42 -31.67 1.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.19 -39.87 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 36.9 m-20 -70.05 -52.24 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.345 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.0 tpt -47.08 -33.96 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m120 -70.95 -36.91 72.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.739 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -51.65 -48.59 63.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.35 -52.33 27.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.017 0.437 . . . . 0.0 110.719 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -19.97 2.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.453 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 52.2 t0 -59.35 -15.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 47.35 80.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 11.8 p30 -70.23 -44.85 67.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 20.8 t70 -171.52 -139.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.447 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 67.3 p -66.75 -170.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.38 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 22' ' ' ILE . 48.8 t -62.27 -51.62 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.062 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -42.9 -35.76 1.3 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.458 -179.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.62 -44.5 11.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.592 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.83 -21.95 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.208 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.38 -52.12 6.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -44.57 -41.54 6.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG23 ' N ' ' A' ' 57' ' ' LEU . 34.3 m -76.57 -46.24 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.484 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.2 tp -53.24 -55.34 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 tt -61.73 -31.54 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.33 -51.82 47.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.64 -44.21 62.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG21 ' CD2' ' A' ' 72' ' ' PHE . 59.6 t -55.88 -64.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -51.77 -24.32 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.268 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.83 -41.94 93.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -78.48 30.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.899 0.381 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.53 171.22 41.25 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.685 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.4 Cg_endo -74.93 -14.13 21.4 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.871 2.381 . . . . 0.0 112.022 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.22 -24.93 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 110.434 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -81.8 -25.65 35.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 6.1 p -51.76 -45.14 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 20.4 m -54.95 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.5 mmtt -55.03 -31.16 60.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 61' ' ' VAL . 59.1 t80 -70.23 -72.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.1 mt -43.75 -39.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 -60.99 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m-70 -48.73 -28.65 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.1 tp -75.84 -31.87 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 56.1 m -60.09 -46.66 88.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.538 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.75 -25.24 53.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.681 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -83.61 -30.99 26.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.383 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -150.31 101.34 3.15 Favored Pre-proline 0 N--CA 1.47 0.537 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -82.11 -20.58 6.14 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.46 1.44 . . . . 0.0 111.969 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -68.62 -59.36 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.73 -52.62 56.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.2 -20.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 t -53.5 -35.63 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 109.771 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -84.22 -38.5 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.253 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 27.6 mtp . . . . . 0 N--CA 1.466 0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.476 179.743 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.833 0.349 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -64.58 -56.54 13.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -50.98 -59.37 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -36.79 -65.02 0.31 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.95 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -64.18 -41.9 96.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.0 11.72 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -65.53 -46.27 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.975 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -65.73 -30.78 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.334 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.21 -57.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.491 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.63 -51.54 69.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.311 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.8 tt -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.597 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.9 m80 -90.89 53.68 2.46 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.012 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -167.27 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.07 121.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.462 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.33 145.27 24.08 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.624 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -43.33 -22.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 111.37 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.49 -61.51 2.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.824 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -48.43 -35.77 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.295 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 89.1 mt -51.59 -61.85 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -51.0 -39.09 54.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.43 51.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 111.507 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.69 -58.76 3.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.343 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.1 pp -59.26 -36.08 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.827 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' N ' HD12 ' A' ' 26' ' ' LEU . 38.9 t70 -57.85 -45.06 86.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -62.57 -42.67 99.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -49.37 -44.9 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 35' ' ' ILE . 7.6 mp -59.99 -42.51 94.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -46.7 -40.67 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.49 -19.82 45.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.4 mt-10 67.8 34.05 4.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.85 -46.29 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 HD12 ' A' ' 30' ' ' LEU . 11.3 pt -89.4 156.39 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.901 0.382 . . . . 0.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' ASP . 44.6 m -99.32 150.83 21.72 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.703 ' NE2' HD21 ' A' ' 41' ' ' ASN . 41.9 tp60 -42.18 -30.48 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.72 -44.8 69.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' SER . 19.0 m-20 -68.05 -46.78 70.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.963 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.2 tpt -49.91 -35.13 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.772 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.703 HD21 ' NE2' ' A' ' 37' ' ' GLN . 7.1 m120 -66.96 -39.11 87.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.663 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.03 -48.59 52.67 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.098 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.76 -50.79 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.842 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -11.08 4.22 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.698 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.66 -13.32 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 44.22 73.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -63.47 -72.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.491 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 25.8 t0 -159.81 -141.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.486 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 7.6 m -45.96 158.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 50.7 t -47.25 -42.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -44.02 -32.79 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.83 -54.32 4.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 36.8 mttp -54.16 -32.53 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.04 32.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.372 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.1 -44.5 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 57' ' ' LEU . 24.5 m -77.06 -45.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.628 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.5 tp -49.25 -57.75 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 111.27 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 tt -64.13 -32.83 58.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.455 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.3 -52.66 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -47.39 -55.83 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -58.83 -25.96 63.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.384 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -70.57 -39.12 68.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.603 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -78.8 30.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 110.754 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.85 167.22 34.69 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.665 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 Cg_endo -75.43 -15.66 19.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.958 2.439 . . . . 0.0 112.032 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -57.23 -25.81 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.536 . . . . 0.0 109.903 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -78.15 -25.99 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.911 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.5 p -54.16 -49.63 68.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.185 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.552 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 64.2 m -46.41 -53.26 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.64 -27.22 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.377 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.66 -38.75 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.96 -33.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.29 -42.69 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m-70 -66.96 -42.47 85.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.01 -30.93 71.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.2 -58.21 8.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.8 pp20? -66.82 -14.23 62.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.764 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.93 -49.76 6.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -138.12 78.48 34.34 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 122.7 0.4 . . . . 0.0 111.522 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.19 -23.91 10.5 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.586 2.191 . . . . 0.0 111.941 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.88 -73.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.91 -30.22 61.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 0.0 110.299 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.53 -13.14 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.548 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 p -62.85 -44.59 95.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.976 0.417 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -84.62 -14.81 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.4 mtp . . . . . 0 N--CA 1.476 0.854 0 C-N-CA 123.204 0.601 . . . . 0.0 110.424 179.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -44.12 -56.8 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.633 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.9 mm? -50.77 -59.78 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 111.071 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.94 -64.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.596 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -59.86 -42.76 94.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.338 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HD2' HD12 ' A' ' 12' ' ' ILE . 30.5 mmtp -85.12 12.01 8.64 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.163 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 6' ' ' LEU . 35.5 ttp180 -62.43 -35.16 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.076 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -77.22 -28.32 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.366 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' HD2' ' A' ' 9' ' ' LYS . 62.7 mt -74.71 -68.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -51.07 -50.12 59.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.657 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 15' ' ' HIS . 9.7 tt -55.36 -50.39 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.4 m80 -89.73 55.72 3.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.257 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.09 121.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.513 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -88.13 138.42 15.04 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -34.39 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -72.61 -49.18 19.75 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.672 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 m -63.26 -36.45 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.609 HD11 HG13 ' A' ' 50' ' ' VAL . 9.4 mt -51.31 -62.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 111.263 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -52.7 -39.43 61.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.516 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.6 -28.03 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.404 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.483 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -72.52 -59.02 2.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.181 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.67 -32.43 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.43 -50.91 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 6.2 t -59.76 -41.28 90.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.76 -48.64 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.15 -42.02 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -47.95 -43.49 29.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.94 -18.66 53.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.443 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 65.4 34.86 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.92 -39.8 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.98 154.9 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.838 0.351 . . . . 0.0 110.668 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.0 t -91.45 148.06 22.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.751 HE22 HD21 ' A' ' 41' ' ' ASN . 1.0 OUTLIER -46.06 -28.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.471 . . . . 0.0 110.058 179.232 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.03 -37.81 69.68 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 68.0 m-20 -71.63 -49.18 42.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tpt -49.16 -33.8 13.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 0.0 109.921 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.751 HD21 HE22 ' A' ' 37' ' ' GLN . 2.8 m120 -69.69 -38.24 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.61 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -50.74 -48.51 59.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.69 -47.86 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -53.18 -29.92 34.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.774 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -52.34 -19.6 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 43.95 79.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.984 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -59.26 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 49' ' ' THR . 34.8 t0 -160.34 -141.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 68.3 p -52.42 -168.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 22' ' ' ILE . 55.0 t -72.34 -23.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.8 mpp? -61.32 -42.99 99.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.322 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -80.84 -37.49 29.89 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.538 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.96 -41.72 77.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -74.55 -25.72 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -64.95 -48.39 74.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 57' ' ' LEU . 18.8 m -74.43 -46.64 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.437 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.2 tp -45.89 -52.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.32 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 19.7 tt -71.03 -26.02 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.205 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.7 -38.38 70.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.49 -44.48 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 72' ' ' PHE . 91.1 t -53.41 -61.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -48.95 -47.77 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.402 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -44.92 -42.95 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.786 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -77.17 28.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.01 170.78 36.51 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 98.3 Cg_endo -76.63 -13.64 18.04 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.91 2.407 . . . . 0.0 112.091 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.62 -24.65 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.329 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -80.47 -27.63 37.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 6.7 p -50.05 -50.63 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 13.4 m -45.47 -54.29 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 77.5 mttt -67.02 -25.96 66.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' A' ' 61' ' ' VAL . 56.3 t80 -73.41 -43.48 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.446 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.48 -31.78 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.337 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.18 -54.7 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -53.06 -30.49 36.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -74.08 -52.76 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.0 m -45.56 -28.27 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.363 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -80.31 -46.5 16.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.66 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -74.13 -52.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.622 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.28 97.96 51.36 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.181 0.592 . . . . 0.0 110.99 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -82.91 -13.49 9.22 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.587 1.524 . . . . 0.0 111.946 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -64.93 1.02 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.372 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.71 -44.91 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.152 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.32 -13.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t -54.18 -35.0 61.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 0.0 110.099 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.47 -36.94 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.466 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.727 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.35 -60.76 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.02 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -45.51 -54.97 6.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -40.12 -53.39 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.501 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.23 -43.88 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.448 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HD2' HD12 ' A' ' 12' ' ' ILE . 66.4 mmtt -80.97 7.28 11.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.078 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 26.6 ttp180 -58.29 -41.39 84.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.4 -27.26 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 9' ' ' LYS . 95.5 mt -76.59 -70.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -47.5 -50.99 22.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.572 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.612 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 3.1 tt -54.07 -50.24 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.685 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.561 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.9 m170 -93.41 55.09 2.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.456 0.302 . . . . 0.0 111.208 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -171.42 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 111.216 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.3 p -62.77 127.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.557 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.86 142.76 22.77 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.413 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.09 -28.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.362 . . . . 0.0 111.244 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -63.28 3.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.696 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -42.89 -39.92 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.596 0.236 . . . . 0.0 111.217 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.405 HD11 HG13 ' A' ' 50' ' ' VAL . 64.8 mt -50.21 -56.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.021 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -53.86 -42.77 68.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.35 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.692 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -76.72 -58.43 3.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.315 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.72 -30.22 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.76 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.2 -47.14 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.393 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 7.7 t -60.5 -41.72 94.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.68 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -50.12 -47.22 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.424 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.75 -41.97 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.132 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.84 -39.21 68.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.607 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.5 -18.29 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 65.71 29.8 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.5 -43.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.936 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 pt -89.4 155.55 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.464 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.5 m -103.09 155.13 18.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.975 0.51 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.577 ' NE2' HD21 ' A' ' 41' ' ' ASN . 16.2 tm0? -44.39 -29.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.62 -48.17 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.02 -49.39 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.7 tpt -47.16 -33.58 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.577 HD21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m120 -72.25 -35.68 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.799 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -52.71 -47.05 67.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.89 -53.77 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -52.02 -15.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.111 0.481 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 31.2 t70 -69.39 -1.38 8.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.423 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER 32.73 99.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.786 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -76.34 -66.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.754 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 33.6 t0 -162.56 -140.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 50' ' ' VAL . 10.2 m -54.11 162.98 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.216 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' THR . 42.7 t -42.38 -47.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.47 -37.91 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.7 0.286 . . . . 0.0 111.27 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -45.37 13.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.538 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -59.38 -29.89 68.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.251 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.07 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.362 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' ' CD1' ' A' ' 14' ' ' ILE . 13.4 tpp85 -42.21 -47.58 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.2 m -75.36 -47.19 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.847 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.524 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.4 tp -50.26 -57.7 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.223 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 tt -61.16 -32.88 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.98 -50.85 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.447 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.59 -38.23 66.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.51 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.222 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -57.57 -19.57 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.55 11.86 17.27 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -138.58 47.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.918 0.487 . . . . 0.0 110.579 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.89 162.78 3.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.572 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.4 Cg_endo -75.46 -8.64 19.69 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.67 2.247 . . . . 0.0 111.87 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -60.43 -24.36 65.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.046 0.45 . . . . 0.0 110.567 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -80.87 -35.31 32.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.8 p -49.3 -45.96 45.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.499 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 78.5 m -53.33 -60.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 67.0 mttt -61.56 -29.93 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.252 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -65.76 -53.54 39.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.38 -33.55 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.71 -58.5 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.24 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 27.4 m-70 -54.02 -31.56 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.973 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.83 -33.74 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.235 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.43 -46.47 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.66 -24.06 56.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.682 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.96 -34.85 26.35 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 111.643 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -149.95 108.07 3.24 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 119.232 -0.414 . . . . 0.0 110.975 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.65 -29.7 1.7 Allowed 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 121.442 1.428 . . . . 0.0 111.956 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.25 -62.52 1.82 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.38 -52.51 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.052 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.25 -18.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.949 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -55.41 -36.56 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.859 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -80.92 -37.87 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.94 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 mtp . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.357 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 120.942 0.401 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.96 -59.57 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -48.19 -57.11 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 111.027 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -55.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.502 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.92 -44.27 77.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.9 mmtp -83.05 12.54 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.9 ttp180 -65.05 -34.33 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -78.0 -29.39 49.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.435 HD12 ' HD2' ' A' ' 9' ' ' LYS . 89.3 mt -76.41 -65.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -49.3 -53.59 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -53.23 -49.7 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.615 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.577 ' N ' HG23 ' A' ' 14' ' ' ILE . 37.4 m80 -91.21 52.76 2.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -167.67 -52.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.9 p -43.2 124.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.25 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.34 144.02 24.25 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -26.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -62.21 2.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.674 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 m -42.94 -37.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.533 0.206 . . . . 0.0 111.257 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.471 HD11 HG13 ' A' ' 50' ' ' VAL . 67.3 mt -52.01 -59.32 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.687 0.28 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -52.26 -40.9 62.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.35 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -25.62 56.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.2 tm? -77.48 -58.15 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.58 -28.59 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.718 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -66.43 -44.19 83.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.22 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -62.59 -43.22 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.676 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.0 mt -49.18 -46.58 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.352 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 80.1 mt -56.14 -44.07 78.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.333 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -45.76 -44.88 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.338 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -79.89 -17.98 51.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 25.7 mt-10 64.81 32.31 11.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 p -75.37 -39.23 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.476 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 pt -88.52 153.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 39' ' ' ASP . 13.9 m -89.93 148.73 22.95 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.765 HE22 HD21 ' A' ' 41' ' ' ASN . 0.1 OUTLIER -46.82 -33.62 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.055 0.455 . . . . 0.0 110.335 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -70.13 -34.14 72.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.499 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 50.7 m-20 -72.05 -51.53 21.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.2 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 40' ' ' MET . 3.3 tmm? -49.24 -31.49 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.765 HD21 HE22 ' A' ' 37' ' ' GLN . 9.6 m120 -68.69 -41.86 78.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -50.5 -48.21 57.03 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 t -70.73 -48.96 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.029 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -11.57 27.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.706 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.07 -12.2 53.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.786 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 50.8 82.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.57 -49.75 17.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.6 t0 -171.62 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 35.5 p -66.26 179.67 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 HD11 ' A' ' 22' ' ' ILE . 56.0 t -55.9 -33.81 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -40.56 72.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 111.133 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.81 -37.06 21.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.897 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -70.01 -32.53 70.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -79.13 -35.59 41.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -56.7 -43.8 80.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.4 m -76.06 -46.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.621 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.1 tp -49.19 -56.17 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.345 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 18.2 tt -60.96 -38.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.376 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.67 -56.83 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.172 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.8 mt -44.71 -46.58 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.94 -59.77 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.242 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -58.49 -19.96 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.0 13.84 12.84 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 38.4 mmtm -138.18 44.99 2.12 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.893 0.477 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.87 162.99 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.483 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.0 Cg_endo -74.73 -9.66 21.27 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.762 2.308 . . . . 0.0 111.812 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.37 -25.54 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.982 0.42 . . . . 0.0 110.484 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.56 -31.57 41.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.1 p -49.55 -37.7 28.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.13 -69.01 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.061 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.3 mttm -49.48 -26.42 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.59 -53.37 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.162 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.7 -32.25 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.441 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -74.29 -51.83 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -59.66 -31.36 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.108 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.8 -33.62 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -58.99 -47.61 84.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.612 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.47 -24.51 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.94 -30.68 26.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.838 0.352 . . . . 0.0 111.267 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -149.75 99.89 3.31 Favored Pre-proline 0 N--CA 1.469 0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.42 -13.12 9.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.47 1.446 . . . . 0.0 111.829 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.02 -63.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.09 -47.03 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.835 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.47 -15.32 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.868 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 t -55.09 -37.06 66.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.93 -35.35 24.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mtp . . . . . 0 N--CA 1.469 0.48 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.52 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.35 -60.55 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.865 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -48.39 -61.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.421 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -39.45 -50.8 2.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.768 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -70.07 -47.83 60.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -83.11 13.88 3.8 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.651 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.618 HH21 ' NH1' ' A' ' 55' ' ' ARG . 47.0 ttt-85 -61.06 -34.36 74.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -74.73 -26.63 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.282 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -77.71 -69.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.247 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -45.88 -51.37 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.461 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' N ' ' A' ' 15' ' ' HIS . 6.3 tt -55.41 -50.03 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.531 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.57 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.1 m170 -91.25 52.57 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 111.025 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -165.9 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' GLY . 5.8 p -44.12 166.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -146.22 147.24 18.07 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -33.96 -39.5 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.94 -56.17 26.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 m -65.09 -36.79 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.622 0.249 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 50' ' ' VAL . 82.7 mt -51.99 -59.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 111.409 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.523 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.46 -26.17 58.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.665 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.86 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.06 -26.72 64.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 110.612 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -65.37 -45.15 85.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.35 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.7 mt -49.93 -47.29 52.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.594 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 33' ' ' GLU . 54.0 mt -56.86 -43.57 81.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -45.62 -46.12 14.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.52 -18.06 55.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mt-10 65.95 34.18 7.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.95 -40.19 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 pt -89.18 156.02 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ASP . 58.7 m -97.83 151.05 20.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -44.62 -31.76 1.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.67 -39.96 80.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.356 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 59.1 m-20 -71.56 -50.83 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 tpt -47.5 -32.33 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' HD22 ' A' ' 41' ' ' ASN . 2.0 m120 -72.81 -38.35 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -51.34 38.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.81 -49.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.516 ' NH1' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -57.39 -20.81 32.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.535 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -57.57 -19.3 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.516 ' OE2' ' NH1' ' A' ' 44' ' ' ARG . 46.5 mt-10 48.64 76.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -64.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -159.88 -141.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 50' ' ' VAL . 11.0 m -57.22 160.73 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.655 HG13 HD11 ' A' ' 22' ' ' ILE . 77.8 t -43.36 -26.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.569 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.35 -42.26 81.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -84.03 -38.82 20.4 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.602 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.13 -28.5 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.644 0.259 . . . . 0.0 111.243 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.02 -51.06 9.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH1' HH21 ' A' ' 10' ' ' ARG . 14.8 tpp85 -47.39 -42.42 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 57' ' ' LEU . 15.7 m -72.3 -51.49 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.368 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -47.62 -54.56 11.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.38 -24.8 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.513 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.96 -41.88 50.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.154 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.7 -40.75 93.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.71 -69.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -49.1 -17.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -78.53 -36.51 29.71 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.526 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 48.0 mmtt -77.65 29.56 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 67' ' ' LYS . . . 77.69 134.46 0.74 Allowed Glycine 0 CA--C 1.533 1.174 0 CA-C-O 118.921 -0.933 . . . . 0.0 112.342 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.0 Cg_exo -41.3 -16.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 CA-C-N 120.576 2.188 . . . . 0.0 113.196 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 65' ' ' GLY . 42.6 tttm -54.54 -26.53 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 110.537 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -82.55 -20.14 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.865 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.5 p -59.33 -39.42 83.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.431 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 m -54.26 -61.78 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.346 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 40.1 mttp -60.88 -27.75 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.361 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.81 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.2 mt -49.72 -36.03 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.63 -51.0 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.302 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.582 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.2 m-70 -59.87 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.11 -33.85 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.34 -49.47 77.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.756 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.91 -21.64 59.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.83 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 53.5 mm-40 -86.12 -31.91 21.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -147.65 98.85 3.86 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -82.45 -14.04 9.48 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.521 1.48 . . . . 0.0 111.963 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -71.99 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.283 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 85' ' ' SER . 4.3 tp -66.65 -49.5 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.797 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.81 -13.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 83' ' ' LEU . 32.5 t -54.61 -35.58 63.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.992 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.15 -35.75 19.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.296 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.469 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.469 0.51 0 CA-C-O 120.989 0.424 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.53 -52.62 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.2 mm? -53.75 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.26 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -38.67 -54.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.704 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -66.12 -48.9 69.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.31 19.19 2.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.003 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 34.4 ttp85 -67.91 -38.05 82.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -74.28 -26.1 60.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -77.48 -68.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.29 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -46.01 -53.06 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.389 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.572 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.5 tt -53.6 -50.73 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.569 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.572 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.9 m80 -88.78 56.42 3.74 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -170.4 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.293 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -40.43 125.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.646 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.28 142.12 21.06 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.582 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -38.46 -39.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -63.77 3.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 m -42.67 -36.18 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 50' ' ' VAL . 92.1 mt -54.05 -52.11 39.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.71 0.29 . . . . 0.0 111.664 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -60.14 -40.15 88.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.404 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.55 -28.6 61.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.9 tm? -73.02 -58.59 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.317 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.1 -29.47 63.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.29 -51.71 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.265 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.743 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -59.11 -40.22 84.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.517 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 mt -55.82 -45.29 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.74 -38.18 66.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -58.14 -35.77 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.77 -18.05 62.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 66.48 27.11 9.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.019 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.46 -47.95 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 pt -90.99 155.3 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 120.947 0.404 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -104.17 164.7 11.54 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -48.48 -28.1 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.16 0.505 . . . . 0.0 109.799 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.89 -63.64 1.02 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.61 -44.18 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.241 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.3 tpt -49.16 -36.53 19.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 3.8 m120 -66.87 -36.81 83.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.008 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.04 -46.31 64.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.19 -53.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.04 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -57.24 -11.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.107 0.479 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.78 -16.22 6.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 43.89 65.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.05 -56.21 25.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' OD2' ' OD2' ' A' ' 52' ' ' ASP . 21.7 m-20 -159.86 -141.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.95 0.405 . . . . 0.0 110.784 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -60.46 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.268 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 44.9 t -61.47 -57.55 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtt -38.28 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 111.689 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' VAL . 20.0 t0 -86.77 -52.57 5.43 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.441 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.465 ' NZ ' HG21 ' A' ' 22' ' ' ILE . 8.7 mtmp? -60.25 -29.64 68.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -42.89 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -49.13 -45.94 44.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 57' ' ' LEU . 25.2 m -76.87 -43.99 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.626 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.444 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.2 tp -49.87 -56.44 10.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.241 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -65.98 -33.68 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.444 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -68.51 -33.32 73.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.79 -58.55 4.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.6 t -43.84 -52.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -56.97 -30.24 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -80.77 -38.61 15.86 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.676 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -75.65 28.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 84.58 155.13 22.29 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.454 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 65.6 Cg_endo -78.62 4.68 6.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.401 2.068 . . . . 0.0 112.005 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -62.86 -36.38 83.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -84.56 -11.22 56.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.45 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.4 p -57.97 -51.84 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m -60.51 -53.03 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -60.11 -36.11 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.5 -57.06 13.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.51 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -51.25 -38.97 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.607 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.26 -59.34 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.743 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.5 m-70 -50.98 -36.84 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.8 tp -63.99 -31.81 73.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 36.5 m -63.33 -48.65 77.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.7 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -77.45 -13.98 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.792 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -93.93 -35.15 12.8 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -149.89 77.59 8.45 Favored Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 120.636 0.255 . . . . 0.0 111.411 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.79 -28.12 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.697 2.264 . . . . 0.0 112.261 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.38 -72.02 0.16 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.47 -31.56 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.191 0.519 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.02 -15.03 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.659 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 p -59.76 -39.09 83.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -88.41 -22.11 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 45.2 mmm . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 123.135 0.574 . . . . 0.0 110.333 179.832 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.793 0.33 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.85 -53.19 59.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.705 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.5 mm? -51.84 -63.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.938 0.399 . . . . 0.0 110.74 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.88 -57.46 0.81 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.815 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -62.96 -50.6 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' SD ' ' A' ' 87' ' ' MET . 36.6 mmtm -82.05 14.69 2.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.0 tpt180 -60.98 -38.55 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -75.04 -27.19 59.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.336 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -76.08 -71.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.243 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -46.58 -50.98 16.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.636 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 15' ' ' HIS . 2.6 tt -53.66 -49.89 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.43 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.549 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.2 m170 -91.75 52.55 2.05 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.209 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 m -168.37 -53.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.317 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 p -40.9 123.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.504 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -84.22 142.24 20.39 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.31 -0.472 . . . . 0.0 112.632 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.3 -20.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.291 . . . . 0.0 111.417 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.14 -60.16 2.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.693 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -51.61 -31.79 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 50' ' ' VAL . 85.2 mt -56.49 -47.39 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.738 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -65.06 -37.26 86.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.55 -27.42 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.19 -58.23 3.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.438 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -59.45 -32.93 70.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.39 -41.7 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 75' ' ' HIS . 7.3 t -65.8 -43.26 89.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.66 -47.95 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.629 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.4 mt -57.66 -44.56 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -46.22 -40.19 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.95 -20.93 40.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.2 mt-10 67.48 34.19 4.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.3 -37.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 pt -88.62 -168.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.332 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -144.76 156.79 44.24 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.977 0.418 . . . . 0.0 111.06 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.517 ' NE2' ' OD1' ' A' ' 41' ' ' ASN . 9.1 tm0? -42.5 -27.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.102 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.19 -54.54 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 5.0 m-20 -67.15 -47.48 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.684 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 ttt -46.57 -36.63 7.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.11 0.481 . . . . 0.0 110.288 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.546 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.9 OUTLIER -69.89 -37.9 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.768 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -51.42 -48.21 62.76 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.712 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.1 -51.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.991 0.424 . . . . 0.0 111.052 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.45 -21.63 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.868 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -55.46 -23.75 27.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 52.01 90.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -75.59 -64.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 21.5 t70 -160.81 -141.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.472 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.8 t -52.44 172.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 22' ' ' ILE . 48.3 t -53.25 -38.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -46.07 -40.1 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.714 0.293 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -80.93 -48.74 11.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.267 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 41.7 mttp -54.23 -34.25 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.187 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.74 -51.34 9.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -42.81 -45.34 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.58 -51.42 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.606 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.8 tp -47.24 -50.74 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.446 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.67 -26.87 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.38 -42.21 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.86 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.76 -59.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -50.26 -49.26 53.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -46.86 -39.82 11.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.648 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 29.3 mmtm -76.14 28.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.41 169.24 32.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.506 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 85.7 Cg_endo -75.33 -13.89 20.6 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.806 2.337 . . . . 0.0 111.974 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -58.9 -26.47 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.325 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -79.59 -27.84 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -52.2 -44.16 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.095 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 18.9 t -50.9 -56.8 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.258 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 72.3 mttt -63.88 -28.46 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.29 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -69.63 -41.9 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.5 mt -70.82 -39.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.42 -46.77 69.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.591 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 14.5 m-70 -60.28 -62.86 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -39.52 -39.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.767 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -60.88 -50.91 71.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.88 -11.91 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -107.92 -37.04 6.2 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.273 0.488 . . . . 0.0 112.099 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -134.52 74.28 66.21 Favored Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 120.888 0.375 . . . . 0.0 111.31 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -54.89 -26.41 48.42 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.02 2.48 . . . . 0.0 112.736 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -75.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.7 tp -53.54 -33.37 54.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.02 -10.28 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.554 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 t -64.51 -46.54 82.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.274 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -86.24 1.44 50.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.451 ' SD ' ' CB ' ' A' ' 9' ' ' LYS . 64.7 mmm . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.411 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.89 -63.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.26 -41.23 5.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.991 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' LYS . 57.1 ttt-85 -58.17 -66.7 0.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.224 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -70.95 12.36 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.367 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' ARG . 41.1 mmtm -137.97 6.5 2.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.934 0.494 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' LEU . 55.0 ttp180 -64.56 -33.73 76.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 20.6 ptt180 -73.16 -26.0 61.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.07 -73.48 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -42.51 -47.71 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.494 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -60.45 -48.67 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.1 m80 -87.17 50.7 2.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.195 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -169.87 -52.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.205 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -41.46 122.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.024 0.44 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.59 144.24 23.08 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.29 -24.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.264 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -59.9 2.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.7 m -44.53 -37.62 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.584 0.231 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 50' ' ' VAL . 65.5 mt -51.47 -59.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.921 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.0 -40.73 64.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.472 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.91 56.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.594 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -77.02 -58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.262 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.37 -29.63 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.57 -44.53 90.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.438 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.584 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.2 t -63.99 -40.33 96.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 mt -50.24 -51.17 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.19 -40.62 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.477 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.29 30.18 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.54 -43.41 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.92 155.18 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.132 0.492 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.7 t -94.39 164.57 12.96 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.646 HE22 HD21 ' A' ' 41' ' ' ASN . 0.0 OUTLIER -59.56 -23.65 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -74.16 -40.94 62.24 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.461 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -73.42 -40.99 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 0.0 109.903 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 ttt -56.89 -30.2 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.646 HD21 HE22 ' A' ' 37' ' ' GLN . 2.4 m120 -72.03 -40.47 68.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.18 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.61 -45.68 48.38 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.03 -46.75 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.772 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -62.7 -21.41 65.74 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.153 0.501 . . . . 0.0 110.555 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.92 -3.68 2.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.157 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' ARG . 7.0 pt-20 35.61 83.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.552 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -171.83 -139.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . 5.6 p -64.19 -166.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.448 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 22' ' ' ILE . 56.4 t -66.7 -38.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.5 OUTLIER -53.86 -35.67 61.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 0.0 111.332 -179.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.04 -38.46 14.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.826 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' NZ ' ' C ' ' A' ' 49' ' ' THR . 28.5 mtmm -70.43 -27.59 64.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.75 10.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.465 HH12 ' CZ ' ' A' ' 10' ' ' ARG . 6.2 tpp180 -46.47 -43.82 17.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.889 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.8 m -75.65 -50.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.8 tp -47.65 -55.49 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.314 . . . . 0.0 111.198 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.25 -34.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.98 -50.55 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.122 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -51.53 -51.33 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 72' ' ' PHE . 64.2 t -47.04 -58.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.363 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 m -57.82 -12.79 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.318 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -68.56 -46.41 62.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.75 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 1.6 mppt? -77.12 29.43 0.14 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.878 0.371 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.02 178.18 46.71 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.562 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.55 -5.96 17.6 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.86 2.374 . . . . 0.0 112.009 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.58 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -80.64 -36.88 31.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -43.9 -36.01 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 m -57.38 -65.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -59.41 -30.74 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 61' ' ' VAL . 53.0 t80 -63.37 -60.47 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.21 -35.02 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.388 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.18 -48.0 46.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.274 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.584 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 15.7 m-70 -63.35 -43.04 98.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.081 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.0 tp -61.18 -34.36 74.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.44 -53.16 60.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -69.24 -19.29 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.578 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -89.73 -31.48 17.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.774 0.321 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -150.34 101.46 3.14 Favored Pre-proline 0 N--CA 1.471 0.603 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -82.48 -18.14 7.13 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.489 1.459 . . . . 0.0 112.054 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.64 -57.9 4.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.351 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.41 -51.16 55.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.2 -13.27 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.842 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.26 -33.89 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.219 0.533 . . . . 0.0 109.802 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -83.21 -38.72 21.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.044 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.4 mmm . . . . . 0 N--CA 1.468 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.493 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.36 -52.11 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -55.72 -59.53 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.215 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.538 ' NH1' HH22 ' A' ' 10' ' ' ARG . 40.3 ttm-85 -36.52 -59.06 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.985 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -70.08 -43.34 71.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.2 mmtp -83.07 17.75 1.88 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.993 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.538 HH22 ' NH1' ' A' ' 7' ' ' ARG . 20.6 ttp180 -72.44 -34.5 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 32.8 ptt85 -76.96 -26.21 53.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' A' ' 9' ' ' LYS . 69.8 mt -76.61 -69.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -48.39 -48.78 36.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.711 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.0 tt -59.15 -49.68 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.798 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.554 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.1 m80 -88.13 53.82 2.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.286 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 m -172.5 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 17' ' ' VAL . 11.0 p -41.43 130.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.6 156.6 29.22 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.2 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -50.97 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.95 -57.56 10.85 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ALA . 40.8 m -42.68 -60.57 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 mm -35.64 -40.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.116 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -70.58 -41.02 72.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' THR . . . -76.26 -23.77 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.522 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.62 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.16 -30.46 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.22 -42.06 93.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 5.6 t -67.4 -34.64 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.22 -51.77 66.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.655 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -54.69 -42.86 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -47.0 -45.33 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.321 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.75 -17.83 55.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.573 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 65.28 32.87 9.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -76.18 -38.18 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.269 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -88.21 156.93 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ASP . 49.8 m -98.68 149.49 22.76 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.525 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -42.73 -31.07 0.43 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.647 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 1.9 m-20 -72.41 -45.54 59.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -52.25 -31.26 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.917 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 3.4 m120 -71.86 -38.47 70.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -52.91 -49.82 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.21 -37.74 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 46' ' ' GLU . 22.9 tpt180 -63.45 -27.76 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 110.929 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLU . 23.1 m-20 -61.67 -5.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ASP . 5.8 pt-20 35.86 98.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.829 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -70.42 -71.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 49' ' ' THR . 3.3 p30 -161.6 -141.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 11.3 p -44.41 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.93 -34.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -49.24 -40.81 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -79.74 -49.83 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.221 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.32 -32.57 56.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.948 0.404 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -80.04 -42.12 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -56.51 -42.58 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 57' ' ' LEU . 28.5 m -77.01 -45.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.174 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.3 tp -54.71 -51.08 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 54' ' ' ALA . 17.9 tt -68.05 -27.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.244 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -71.63 -46.68 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -55.59 -50.27 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -48.61 -57.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -50.6 -42.32 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -53.27 -41.4 61.95 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.437 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 26.2 mmtm -75.32 27.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 76.08 166.9 22.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 97.9 Cg_endo -73.28 -14.52 25.53 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 111.698 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -59.66 -23.23 62.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -79.03 -33.9 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.827 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 8.7 p -43.11 -33.94 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.01 -58.98 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -63.9 -25.54 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.83 -58.93 3.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.41 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 50.4 mt -61.06 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -59.91 -52.9 63.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.577 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m-70 -60.75 -59.85 4.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 0.0 110.988 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.8 tp -40.97 -31.01 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 83.0 m -73.56 -38.3 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.452 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -11.12 60.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -115.05 -44.72 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 120.772 0.32 . . . . 0.0 111.087 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -116.73 92.57 38.48 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 123.278 0.631 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -83.86 -11.53 8.92 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.796 1.664 . . . . 0.0 112.227 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.511 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.97 -41.02 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.435 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.54 -17.56 55.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 p -54.55 -30.92 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.78 -38.44 15.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.7 mmm . . . . . 0 N--CA 1.468 0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.626 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -46.22 -56.87 5.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.885 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.45 -59.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.521 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -64.94 -43.82 91.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.399 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.92 6.39 11.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' NH2' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.86 -38.7 73.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.77 -29.89 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.338 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.79 -68.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -47.97 -53.29 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.393 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.4 tt -51.52 -49.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.563 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.6 m80 -91.83 57.7 3.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.493 0.317 . . . . 0.0 111.079 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -170.51 -57.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.54 131.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 154.31 26.39 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.171 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -26.92 13.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.34 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.04 -61.18 2.91 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.602 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 m -42.46 -38.8 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 50' ' ' VAL . 69.9 mt -51.9 -60.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.759 0.314 . . . . 0.0 110.949 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -51.31 -38.8 54.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 -27.72 53.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.375 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -73.94 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.527 -179.25 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.2 pp -57.8 -36.23 71.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 0.0 110.663 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 t70 -57.07 -44.03 82.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.664 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.85 -33.98 77.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.76 -34.99 76.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.79 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.74 -40.06 84.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.4 . . . . 0.0 110.17 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.35 -37.71 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.68 -21.87 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 69.28 28.7 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.78 -40.64 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 pt -89.27 -168.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.308 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -146.66 161.92 39.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 11.6 tp60 -45.61 -25.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.517 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.25 -58.56 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.601 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.88 -48.45 71.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 tpt -45.64 -35.65 4.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.579 ' N ' HD22 ' A' ' 41' ' ' ASN . 1.4 m120 -72.12 -36.28 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.035 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 2.2 tmtp? -53.01 -49.03 67.03 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.09 -38.49 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.0 tpt85 -62.45 -29.64 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.03 0.443 . . . . 0.0 110.813 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.0 p-10 -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.614 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 29.4 mt-10 49.96 94.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -75.48 -63.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.991 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -159.66 -141.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -50.08 179.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.34 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 22' ' ' ILE . 38.6 t -60.56 -44.21 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -41.79 -39.29 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.417 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -81.89 -48.91 10.94 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.261 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -54.26 -31.89 54.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.95 -50.51 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.686 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 39.6 tpt85 -42.46 -48.74 5.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG23 ' N ' ' A' ' 57' ' ' LEU . 13.2 m -74.46 -47.21 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.608 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.545 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.7 tp -49.28 -55.86 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 111.328 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.0 tt -62.87 -30.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.88 -46.04 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.534 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.49 -51.0 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 72' ' ' PHE . 68.1 t -46.06 -55.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -57.94 -48.88 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -43.6 -44.29 6.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -77.2 30.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.86 162.23 24.85 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.284 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 Cg_endo -74.98 -13.96 21.31 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.706 2.271 . . . . 0.0 111.773 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -57.03 -22.01 35.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.191 0.52 . . . . 0.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -78.04 -32.37 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 10.3 p -46.04 -51.73 13.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.572 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 86.2 m -46.42 -50.62 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 56.8 mttm -71.56 -23.39 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.43 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.5 t80 -73.55 -52.4 13.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.038 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.21 -29.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.375 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -75.95 -54.59 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.664 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 23.5 m-70 -57.17 -27.37 61.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.44 . . . . 0.0 110.516 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.16 -32.49 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.322 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -80.38 -28.0 38.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.928 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -53.64 6.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 111.586 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -131.11 77.29 75.1 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 122.828 0.451 . . . . 0.0 111.255 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.94 -29.53 35.75 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.699 2.266 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.81 -29.29 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 0.0 110.132 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.41 -10.99 8.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 p -69.04 -49.71 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -80.35 11.39 3.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.15 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.1 mtp . . . . . 0 N--CA 1.469 0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.438 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -59.78 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.48 -52.74 7.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -61.02 0.69 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -69.91 -40.33 75.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.51 22.66 1.03 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' ILE . 41.4 ttp180 -75.55 -45.5 37.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -68.54 -27.44 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.28 -68.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.447 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -49.93 -56.85 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 111.277 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.2 tt -46.98 -50.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.455 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.5 m170 -91.86 55.17 2.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.436 0.295 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -168.19 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 111.335 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -39.57 124.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.821 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.71 23.98 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -42.66 -28.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.28 -63.22 2.42 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.73 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 m -42.58 -35.39 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.662 0.268 . . . . 0.0 111.335 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 93.4 mt -53.3 -60.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -53.72 -37.97 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.403 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.93 -27.3 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 111.428 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.09 -58.88 3.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.98 -27.62 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.91 -46.95 85.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.331 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -63.12 -41.97 99.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.9 mt -51.88 -45.32 64.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.563 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.0 -41.83 79.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -50.3 -40.87 49.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.56 -16.6 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 66.68 32.85 6.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.15 -45.75 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 pt -88.99 155.69 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.956 0.407 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 p -101.1 159.36 15.29 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.234 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.715 HE22 HD21 ' A' ' 41' ' ' ASN . 0.6 OUTLIER -47.9 -27.23 2.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.45 -51.27 37.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.503 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 44.8 m-20 -65.9 -38.25 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 110.137 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.56 -29.48 62.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.676 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.715 HD21 HE22 ' A' ' 37' ' ' GLN . 8.9 m120 -72.46 -42.08 65.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.04 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -49.45 33.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 t -73.66 -52.77 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.35 -12.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.934 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -13.91 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 44.56 64.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -50.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.509 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 3.8 m-20 -159.55 -141.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.7 p -55.93 163.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 54.6 t -45.28 -32.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -53.54 -40.02 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.916 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.34 -42.91 16.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 39.0 mttp -59.32 -37.3 77.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.43 -37.97 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.542 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.4 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.43 -39.22 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.871 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 111.513 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 59' ' ' ASP . 17.6 tt -56.84 -41.95 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.718 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 58' ' ' ILE . 8.8 t70 -61.87 -60.24 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.96 -46.42 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.4 -65.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 m -44.61 -49.97 9.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.238 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -42.99 -41.22 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.662 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 42.7 mmtm -77.29 28.44 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.6 172.2 40.65 Favored Glycine 0 C--N 1.329 0.158 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.664 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.484 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.1 Cg_endo -77.18 -13.99 16.84 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.888 2.392 . . . . 0.0 112.214 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -59.08 -25.76 64.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 t -81.21 -30.19 34.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.8 p -53.29 -49.68 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.201 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 15.5 t -41.99 -45.96 3.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.405 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -76.41 -27.32 56.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.65 -53.37 19.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.355 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.41 -35.48 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -73.66 -66.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.999 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 12.0 m-70 -43.62 -27.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.077 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 tp -76.18 -55.71 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -41.86 -32.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.523 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.11 -45.76 19.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.62 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -71.14 -53.85 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.642 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.41 97.19 48.98 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.265 0.626 . . . . 0.0 111.0 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -83.18 -13.05 9.11 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.691 1.594 . . . . 0.0 111.928 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -58.59 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.308 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 85' ' ' SER . 2.9 tp -64.85 -47.67 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.627 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.52 -11.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.722 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.3 t -57.28 -39.4 75.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.018 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -80.13 -33.61 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.974 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 19.1 mtp . . . . . 0 N--CA 1.468 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.549 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 14.8 p-10 -162.65 84.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -154.74 44.76 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.144 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -54.89 -59.53 4.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.526 -179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -48.17 -56.31 8.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.03 -69.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.558 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -57.37 -42.54 82.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HD2' HD12 ' A' ' 12' ' ' ILE . 54.9 mmtt -87.91 24.99 1.64 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.112 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 6' ' ' LEU . 17.2 ttp180 -76.38 -31.8 58.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.682 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -76.75 -27.96 55.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.388 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 9' ' ' LYS . 49.0 mt -75.7 -70.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -47.37 -45.91 25.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.789 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.559 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.1 tt -62.22 -50.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.2 m80 -89.2 52.82 2.47 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.69 0.281 . . . . 0.0 111.312 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -171.13 -53.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.332 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.2 p -41.64 123.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.5 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 144.2 25.71 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.355 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.95 -22.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.184 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.97 -62.7 2.72 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -45.43 -37.82 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.5 0.19 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.9 mt -54.15 -50.53 54.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.171 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -40.67 85.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.89 0.376 . . . . 0.0 111.077 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.43 56.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.48 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.94 -57.95 3.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.322 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -57.36 -31.99 66.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -63.65 -43.52 96.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.553 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.6 t -63.53 -42.05 98.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.0 mt -51.55 -47.56 63.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.637 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.5 mt -55.86 -43.66 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.436 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -49.52 -43.99 46.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 0.6 OUTLIER -76.67 -19.63 57.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 67.58 28.77 7.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 p -69.86 -39.01 77.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.052 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.7 pt -88.83 -169.32 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -138.97 156.95 46.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.789 0.436 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 9.0 tp-100 -45.97 -26.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.21 -52.32 24.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.7 -48.43 66.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.398 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.2 tpt -47.45 -33.91 6.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.498 ' N ' HD22 ' A' ' 41' ' ' ASN . 2.1 m120 -72.67 -36.04 67.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -51.85 -52.7 47.59 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 t -69.9 -45.25 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.644 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -52.97 -31.79 42.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.582 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -50.96 -26.68 6.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.689 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 51.45 98.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -76.09 -71.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 49' ' ' THR . 25.0 t0 -160.66 -141.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 50' ' ' VAL . 88.7 m -42.84 158.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.269 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.508 ' N ' HG22 ' A' ' 49' ' ' THR . 42.8 t -46.87 -41.55 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.758 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtp -45.49 -33.95 2.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.825 0.345 . . . . 0.0 111.02 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.72 -50.72 7.37 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.498 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 9.2 mtmp? -60.62 -24.13 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.461 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.45 -55.32 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -44.55 -40.29 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.0 m -75.4 -41.73 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.534 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -63.02 -50.73 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.129 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.1 tt -62.35 -35.79 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.404 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -71.26 -59.52 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.242 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.59 -41.68 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 57' ' ' LEU . 74.4 t -60.62 -68.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.668 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.7 m -43.84 -35.75 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -54.41 -39.09 64.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.6 mmtt -75.98 27.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.91 172.62 39.49 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.406 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.05 -10.66 23.0 Favored 'Trans proline' 0 CA--C 1.529 0.239 0 C-N-CA 122.829 2.353 . . . . 0.0 111.875 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -61.34 -29.45 69.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.0 110.185 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -79.18 -41.49 28.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.2 p -42.42 -35.4 1.02 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.194 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.4 m -57.44 -65.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -56.62 -32.32 65.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.7 mt -54.26 -34.15 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.456 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.96 -58.99 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.22 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 4.3 m-70 -55.2 -39.1 69.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.12 -38.68 92.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.4 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 97.6 m -56.99 -45.47 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.573 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.16 -25.73 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.745 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -81.48 -33.06 32.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.722 0.296 . . . . 0.0 111.472 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -150.31 103.76 3.12 Favored Pre-proline 0 N--CA 1.471 0.578 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.913 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -81.58 -14.88 10.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.423 1.416 . . . . 0.0 111.874 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -65.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.358 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 85' ' ' SER . 18.2 tp -61.39 -43.47 98.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.072 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -56.06 -6.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 83' ' ' LEU . 32.9 t -66.1 -45.06 82.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.304 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -79.77 3.26 20.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.359 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.529 ' O ' HD22 ' A' ' 89' ' ' LEU . 41.6 mmm -135.23 10.19 3.51 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.235 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -93.48 39.5 2.94 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.686 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.634 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.5 -33.57 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.953 0.501 . . . . 0.0 111.953 -179.27 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 88' ' ' GLY . 6.2 t-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 20.3 p-10 -160.79 81.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.421 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 29.2 mm100 -151.55 32.5 0.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.66 -45.33 9.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.915 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 10' ' ' ARG . 3.2 mm? -56.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt-85 -39.33 -53.11 2.0 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.635 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -65.36 -49.84 67.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -84.13 17.2 2.57 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.799 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.4 ttp85 -66.87 -36.34 82.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -77.44 -29.29 52.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.4 mt -75.96 -57.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.979 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -57.77 -56.03 27.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.282 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.6 tt -48.39 -49.95 12.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.341 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.557 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.8 m80 -92.34 55.65 2.59 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.5 m -167.26 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.777 0.322 . . . . 0.0 111.287 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -42.29 122.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.378 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.25 142.97 22.56 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.578 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.72 -28.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.688 0.28 . . . . 0.0 111.692 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -75.72 -62.19 2.73 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.757 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.2 m -45.48 -34.71 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 111.245 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 88.8 mt -53.63 -52.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.718 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -61.52 -40.15 93.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.489 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.65 -26.75 60.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.2 tm? -74.2 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.212 -179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.23 -31.27 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.87 -48.45 80.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -59.77 -42.84 94.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -49.33 -44.5 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 33' ' ' GLU . 35.2 mt -60.69 -41.03 94.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.539 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -47.52 -42.13 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.002 0.43 . . . . 0.0 110.148 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.31 -17.9 44.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.348 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 30' ' ' LEU . 29.7 mt-10 65.33 38.58 5.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.069 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.21 -40.31 25.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.228 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.5 pt -89.05 155.39 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 120.865 0.364 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' ASP . 55.2 m -95.09 145.83 24.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.681 ' NE2' HD21 ' A' ' 41' ' ' ASN . 14.0 tm0? -41.2 -33.24 0.34 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.928 0.394 . . . . 0.0 111.055 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -68.76 -41.55 78.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.299 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -66.84 -50.03 63.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 ttt -47.91 -33.6 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.459 . . . . 0.0 109.783 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.681 HD21 ' NE2' ' A' ' 37' ' ' GLN . 2.2 m120 -69.8 -36.28 75.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.504 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -53.11 -46.48 68.73 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.298 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.6 -53.57 17.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.922 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 tpt85 -58.25 -11.03 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.046 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.49 -19.35 47.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 52.41 80.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -74.8 -62.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 49' ' ' THR . 16.6 t70 -160.71 -140.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.48 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 41.2 p -60.3 175.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.418 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 49.5 t -52.25 -32.46 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.24 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.45 -43.66 55.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.71 0.29 . . . . 0.0 111.191 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -80.6 -43.05 21.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 42.5 mttp -58.73 -36.34 74.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 111.244 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.61 -44.99 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.18 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -50.88 -43.56 59.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.8 m -78.17 -46.58 25.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.511 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.7 tp -52.82 -52.28 57.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.047 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.1 tt -65.05 -32.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.44 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -68.28 -51.61 43.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.411 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.13 -49.79 50.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.001 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 63.3 t -49.97 -59.11 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -56.87 -28.21 61.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -64.71 -39.85 96.99 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 27.4 mmtm -77.27 28.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.755 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.8 170.98 39.12 Favored Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.9 Cg_endo -75.06 -10.82 21.28 Favored 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.801 2.334 . . . . 0.0 111.92 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.19 -29.24 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.4 t -77.16 -36.28 55.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 3.4 p -44.34 -45.15 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.39 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.482 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 89.5 m -54.42 -54.86 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 53.4 mtmt -69.18 -19.11 63.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.388 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -75.34 -53.2 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.14 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.0 mt -61.33 -37.25 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.428 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -67.26 -48.56 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.307 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.5 m-70 -64.52 -46.95 80.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.38 -33.79 68.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.302 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.57 -52.52 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.513 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.0 -18.24 62.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.604 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -90.83 -30.69 16.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.806 0.336 . . . . 0.0 111.167 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -150.15 99.16 3.26 Favored Pre-proline 0 N--CA 1.469 0.514 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -82.51 -14.76 9.02 Favored 'Trans proline' 0 C--N 1.359 1.102 0 C-N-CA 121.466 1.444 . . . . 0.0 111.992 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -71.92 -62.37 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.292 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.8 -48.6 71.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.94 -14.87 0.64 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 t -54.11 -35.3 62.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.187 0.517 . . . . 0.0 109.728 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 1.8 mptp? -86.79 -35.98 18.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.158 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.0 mtp -93.01 17.94 9.97 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.622 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -112.01 48.23 0.96 Allowed Glycine 0 N--CA 1.468 0.795 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.971 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.633 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.47 -35.45 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.77 0.428 . . . . 0.0 111.831 -179.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.744 0.307 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -163.31 79.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -150.75 42.4 0.79 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 tt -41.73 -56.28 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.5 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -52.78 -60.84 2.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.775 0.321 . . . . 0.0 111.16 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.55 -64.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.753 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.37 -41.3 96.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -85.1 12.55 7.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.02 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.88 -48.51 81.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -59.83 -26.22 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.298 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.54 -72.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.514 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -45.27 -53.58 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.486 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.544 HG23 ' N ' ' A' ' 15' ' ' HIS . 8.2 tt -51.6 -50.18 31.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.576 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.544 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.2 m80 -97.17 52.96 1.16 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.61 0.364 . . . . 0.0 111.028 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.1 m -167.63 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.4 p -42.05 126.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.475 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.01 140.66 20.98 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.74 -27.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.383 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.55 -62.38 3.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.691 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.7 m -44.39 -36.32 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.564 0.221 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG21 ' HZ3' ' A' ' 53' ' ' LYS . 74.1 mt -55.02 -48.37 75.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.104 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.68 -39.74 92.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.875 0.369 . . . . 0.0 111.195 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.53 -26.58 55.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.526 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -75.31 -57.79 3.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.419 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.14 -35.95 70.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.754 0.311 . . . . 0.0 110.744 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -59.3 -44.56 92.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -62.32 -43.22 99.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -49.39 -47.08 48.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.775 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.8 mt -57.39 -43.36 83.62 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.381 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.63 -45.42 13.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.51 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 10.1 m-20 -79.03 -19.29 51.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LEU . 9.7 mt-10 66.14 34.22 6.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.38 -40.59 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.9 pt -89.14 156.24 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.316 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.2 t -99.7 153.75 18.84 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.523 HE21 ' N ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -46.49 -27.36 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.199 179.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.523 ' N ' HE21 ' A' ' 37' ' ' GLN . 73.9 mm-40 -70.14 -39.25 75.49 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.17 0.51 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.433 ' OD2' HD22 ' A' ' 60' ' ' LEU . 1.2 m-20 -73.92 -55.13 6.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.991 179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -48.01 -29.45 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.101 0.477 . . . . 0.0 109.891 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 1.7 m120 -72.23 -39.33 68.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -55.57 -50.34 70.31 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.726 0.298 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 t -70.47 -46.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -59.53 -21.85 60.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.047 0.451 . . . . 0.0 110.651 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.3 -17.88 64.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.781 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 53.8 93.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -74.8 -59.24 2.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 49' ' ' THR . 20.3 t70 -162.23 -140.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.461 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 9.3 t -62.06 -175.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.354 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 49' ' ' THR . 51.7 t -58.99 -33.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.167 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.8 mtt -56.89 -39.03 73.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.793 0.33 . . . . 0.0 111.227 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.57 -36.28 22.21 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.666 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HZ3' HG21 ' A' ' 22' ' ' ILE . 6.9 mtpm? -69.81 -35.36 74.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.313 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 -38.94 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -55.69 -41.2 73.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.023 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.5 m -77.71 -42.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.513 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' ' 61' ' ' VAL . 11.1 tp -60.96 -48.34 82.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.215 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.75 -34.62 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.455 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.49 -56.3 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.042 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 ' OD2' ' A' ' 39' ' ' ASP . 16.1 mt -43.31 -50.94 6.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 57' ' ' LEU . 86.7 t -51.81 -59.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 m -56.78 -17.82 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.241 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -71.2 -38.16 63.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -77.31 29.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.44 171.39 41.33 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.501 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.448 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.0 Cg_endo -73.57 -2.39 12.1 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.792 2.328 . . . . 0.0 111.9 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -28.65 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 110.24 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -81.35 -32.52 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 2.7 p -47.73 -35.93 10.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.27 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.04 -71.77 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 32' ' ' ASP . 30.5 mtpt -48.1 -26.53 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.174 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -70.54 -42.42 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.425 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.63 -35.14 68.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.137 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' N ' ' CD ' ' A' ' 74' ' ' LYS . 1.2 mptm? -75.0 -42.76 56.84 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 110.79 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 5.0 m-70 -65.1 -39.5 93.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.96 -30.89 70.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.243 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.18 -52.73 63.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.536 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.07 -19.77 62.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.811 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -87.36 -37.74 16.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -150.6 77.35 7.98 Favored Pre-proline 0 N--CA 1.471 0.591 0 CA-C-O 120.683 0.278 . . . . 0.0 111.385 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.21 -23.02 12.28 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.662 2.241 . . . . 0.0 112.251 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.05 -74.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.79 -35.65 61.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -57.19 -11.15 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.398 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.3 t -64.32 -48.62 74.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.101 0.476 . . . . 0.0 110.122 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' H ' ' HE3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -85.4 6.27 27.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.493 179.058 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 14.7 mtp -145.52 34.97 1.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.591 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -154.98 61.71 0.36 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -36.26 -37.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.638 0.375 . . . . 0.0 111.592 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.947 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 16.4 p30 -163.63 82.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 17.3 mm100 -152.79 41.73 0.6 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.16 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 89' ' ' LEU . 8.7 tt -56.06 -64.97 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.86 -56.52 4.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -35.75 -63.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.123 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -69.26 -40.75 77.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.467 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -88.4 23.75 2.11 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.645 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.97 -29.99 58.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -75.46 -27.82 59.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.199 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -75.18 -64.81 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.461 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -50.84 -56.88 10.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.292 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 15' ' ' HIS . 15.4 tt -47.85 -51.53 8.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.277 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.594 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.1 m80 -92.48 52.04 1.84 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.6 m -164.65 -55.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.101 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.1 p -42.87 123.92 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.89 142.21 21.44 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.611 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.599 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -39.64 -33.84 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.743 0.306 . . . . 0.0 111.732 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.49 -63.17 3.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.795 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -45.19 -42.13 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.612 0.244 . . . . 0.0 111.315 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 50' ' ' VAL . 85.6 mt -45.97 -51.88 3.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.698 -179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -60.31 -42.54 95.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.438 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.19 -23.34 59.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.733 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -77.51 -59.21 2.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -55.57 -31.88 62.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -61.65 -50.33 72.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.48 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.517 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 6.3 p -56.84 -39.89 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 64.1 mt -51.9 -47.47 64.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.77 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -54.97 -43.7 73.72 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -48.02 -42.0 27.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.69 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -77.08 -18.66 57.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.672 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.9 33.22 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.704 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 p -75.8 -43.79 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.4 pt -89.83 -169.21 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.446 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' GLU . 15.8 m -144.0 151.01 39.15 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.749 0.419 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.66 ' NE2' HD21 ' A' ' 41' ' ' ASN . 13.9 tm0? -36.93 -28.31 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.758 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' SER . 80.0 mm-40 -69.67 -54.4 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.973 0.416 . . . . 0.0 110.599 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -66.33 -46.46 76.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.244 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 40' ' ' MET . 1.0 OUTLIER -48.42 -33.96 10.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.13 179.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.66 HD21 ' NE2' ' A' ' 37' ' ' GLN . 2.8 m120 -70.64 -38.47 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -48.26 -48.94 35.11 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-O 120.934 0.397 . . . . 0.0 110.174 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -74.69 -49.48 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.094 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -3.8 3.28 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.47 -11.55 59.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 57.19 76.72 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -69.19 -78.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.97 -140.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.678 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 50' ' ' VAL . 23.9 m -53.67 159.94 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.059 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 22' ' ' ILE . 55.8 t -45.97 -25.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtm -61.2 -39.49 90.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.53 -36.79 21.93 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.661 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' NZ ' ' CB ' ' A' ' 53' ' ' LYS . 8.0 mtmp? -73.03 -34.34 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.1 -34.46 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.331 . . . . 0.0 111.0 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 73.7 ttt-85 -61.79 -38.64 88.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.1 m -78.33 -42.66 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.67 -51.45 67.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 111.198 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.4 tt -64.4 -36.19 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.521 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -62.98 -56.69 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.519 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.0 mt -48.43 -49.02 36.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.276 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.6 t -51.3 -59.66 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.178 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -57.96 -18.38 23.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.363 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.8 -36.3 37.28 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.66 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -79.93 31.25 0.26 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.927 0.394 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.85 167.94 41.91 Favored Glycine 0 C--N 1.332 0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.798 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.47 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 91.2 Cg_endo -75.99 -16.09 18.26 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.964 2.443 . . . . 0.0 112.14 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -58.49 -23.8 58.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -79.4 -37.1 38.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.988 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.9 p -46.89 -45.98 20.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.062 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.505 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 98.8 m -52.3 -60.21 3.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.29 -34.18 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.235 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -61.91 -53.3 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.075 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.7 mt -57.82 -31.03 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 77' ' ' CYS . 91.2 mttt -73.23 -67.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.337 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 80.4 m-70 -44.14 -30.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.51 -35.08 63.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' LYS . 89.9 m -57.83 -45.27 86.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.635 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.57 -25.56 41.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.975 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -82.88 -30.99 28.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.837 0.351 . . . . 0.0 111.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -150.08 101.02 3.2 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.88 -11.28 11.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 121.366 1.378 . . . . 0.0 111.851 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -76.19 -64.37 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' C ' ' N ' ' A' ' 85' ' ' SER . 5.9 tp -63.69 -46.88 83.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 109.773 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -49.76 -12.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.543 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' C ' ' A' ' 83' ' ' LEU . 18.2 t -65.2 -45.4 84.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.989 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.63 12.94 2.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' HD22 ' A' ' 89' ' ' LEU . 19.8 mtp -147.26 11.8 1.04 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.264 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.77 37.9 3.29 Favored Glycine 0 C--N 1.337 0.63 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.948 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.12 -35.21 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.847 0.459 . . . . 0.0 111.783 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' C ' ' ND1' ' A' ' 90' ' ' HIS . 2.6 t-80 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.823 0.344 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 1.4 p30 -163.5 82.18 0.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.98 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 96.2 mm-40 -154.51 39.24 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.985 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -52.65 -68.43 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.238 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.677 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -42.49 -53.48 4.3 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.005 0.431 . . . . 0.0 111.061 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -57.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.0 -40.05 68.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.388 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.91 15.19 3.48 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 6' ' ' LEU . 56.3 ttp85 -66.19 -39.41 89.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.37 -26.05 58.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.13 -69.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.185 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -48.44 -54.24 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.311 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.9 tt -51.16 -50.05 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.497 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.8 m170 -91.28 53.04 2.22 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 122.496 0.318 . . . . 0.0 111.092 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -170.3 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.307 . . . . 0.0 111.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.8 p -56.57 124.26 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.394 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.17 145.84 23.5 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.577 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 -30.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 0.0 111.246 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.25 -63.97 2.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.5 m -42.12 -36.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.577 0.227 . . . . 0.0 111.417 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.521 HD11 HG13 ' A' ' 50' ' ' VAL . 78.2 mt -53.74 -56.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.003 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -54.96 -40.13 69.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.785 0.326 . . . . 0.0 111.312 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.8 -27.37 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.578 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.18 -58.07 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.257 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.26 -28.56 65.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.0 0.428 . . . . 0.0 110.721 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.75 -48.47 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.336 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.583 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 5.8 t -59.99 -44.19 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.0 mt -47.54 -47.94 27.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.42 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.89 -45.28 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.31 -38.57 28.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.79 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.68 -19.7 54.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.723 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 66.04 31.15 9.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.75 -41.8 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 pt -89.32 -168.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.9 m -145.92 159.23 43.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.939 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 18.0 tp60 -43.29 -27.53 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.987 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -68.98 -52.37 29.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -69.29 -51.37 37.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.32 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.5 tpt -46.14 -31.18 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.409 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.529 ' N ' HD22 ' A' ' 41' ' ' ASN . 1.2 m120 -75.08 -39.53 60.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.627 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -51.99 -48.05 64.59 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.053 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.17 -49.58 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.475 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -16.7 36.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -62.73 -17.34 60.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 56.25 88.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -75.96 -61.29 1.98 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -160.15 -141.54 0.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.59 HG22 ' N ' ' A' ' 50' ' ' VAL . 24.7 m -65.79 167.65 9.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.59 ' N ' HG22 ' A' ' 49' ' ' THR . 53.7 t -42.39 -46.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.086 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.4 OUTLIER -43.77 -38.11 3.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.168 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -84.13 -45.65 12.76 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.693 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -63.37 -23.4 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.75 0.31 . . . . 0.0 111.434 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.07 -54.97 4.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 58.6 ttp85 -44.73 -40.63 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.168 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 57' ' ' LEU . 26.1 m -76.53 -40.63 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.491 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' VAL . 11.2 tp -61.48 -47.22 86.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -68.74 -27.21 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 111.428 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -77.94 -43.9 28.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.017 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.66 -42.28 83.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.4 -57.2 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.87 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.7 m -55.39 -12.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.17 -47.89 68.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.585 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 1.6 mptp? -76.38 28.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.846 0.355 . . . . 0.0 110.776 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.1 177.81 48.31 Favored Glycine 0 C--N 1.329 0.167 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.624 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 90.0 Cg_endo -74.15 -5.14 16.52 Favored 'Trans proline' 0 CA--C 1.529 0.268 0 C-N-CA 122.81 2.34 . . . . 0.0 111.949 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -61.31 -42.81 99.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.329 0.585 . . . . 0.0 109.519 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.4 t -64.53 -36.05 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.388 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 1.2 p -42.07 -37.95 1.53 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.893 0.378 . . . . 0.0 111.332 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.4 m -54.49 -62.79 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.238 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 59.7 mmtt -58.84 -27.78 65.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.227 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -70.58 -54.0 13.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.316 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.02 -41.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.49 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -68.21 -56.61 8.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.583 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 6.5 m-70 -54.1 -29.9 46.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.5 tp -74.21 -32.87 63.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 70.0 m -58.7 -47.46 84.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.673 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.2 pp20? -77.37 -23.9 50.73 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 60.0 mm-40 -83.16 -34.58 25.96 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -146.2 105.39 4.11 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-O 119.296 -0.383 . . . . 0.0 110.954 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.05 -17.14 9.53 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 121.354 1.37 . . . . 0.0 111.921 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.577 ' NE2' ' N ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -73.68 -72.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.446 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' N ' ' NE2' ' A' ' 82' ' ' GLN . 13.2 tp -53.01 -41.94 65.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.068 0.461 . . . . 0.0 109.971 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -51.52 -9.57 0.08 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.825 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 83' ' ' LEU . 41.9 t -65.96 -48.15 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.924 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -81.67 13.47 3.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.037 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 20.6 mtp -145.59 11.83 1.29 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.18 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -100.23 43.07 1.83 Allowed Glycine 0 C--N 1.34 0.771 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.782 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.669 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.26 -34.38 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.969 0.508 . . . . 0.0 111.905 -179.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' GLY . 31.4 t-80 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.788 0.327 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -161.57 85.98 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -155.51 34.26 0.37 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.391 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -53.87 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.0 mm? -41.68 -33.47 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.253 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.27 -62.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -72.27 10.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.269 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 7' ' ' ARG . 20.6 mmmt -139.42 11.64 2.54 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.756 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.618 ' NH2' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -67.4 -29.73 69.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.202 179.411 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -76.34 -32.4 58.64 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.048 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.9 mt -76.69 -60.64 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.295 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -49.33 -57.94 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.899 0.381 . . . . 0.0 111.016 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' N ' ' A' ' 15' ' ' HIS . 18.7 tt -49.48 -50.73 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.384 -179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.604 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.2 m80 -88.76 54.78 3.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -170.21 -56.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 0.0 111.24 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.7 p -40.43 124.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.535 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.18 146.66 24.03 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.86 -26.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 111.19 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.95 -60.36 2.94 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.611 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.0 m -43.84 -35.83 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.6 0.238 . . . . 0.0 111.374 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.524 HD11 HG13 ' A' ' 50' ' ' VAL . 74.6 mt -53.9 -60.3 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.047 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -52.89 -38.24 61.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.5 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -28.36 55.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.542 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.2 -58.15 3.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.258 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.94 -28.1 67.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 0.0 110.759 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -63.63 -46.11 87.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.28 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 11.2 t -63.59 -42.57 98.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.885 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.3 mt -49.34 -49.1 45.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.613 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.8 mt -55.39 -43.59 75.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.394 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -46.65 -42.45 16.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.08 -18.59 49.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.554 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' LEU . 28.2 mt-10 65.84 35.19 6.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -75.48 -42.23 42.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 pt -88.93 156.75 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.77 0.319 . . . . 0.0 110.2 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 39' ' ' ASP . 14.6 p -96.23 150.28 20.71 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.978 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.677 ' NE2' HD21 ' A' ' 41' ' ' ASN . 16.5 tm0? -46.53 -23.08 0.34 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.255 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -75.17 -42.58 55.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' SER . 14.3 m-20 -71.65 -46.02 60.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.004 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.7 tpt -51.02 -35.2 32.99 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.702 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.677 HD21 ' NE2' ' A' ' 37' ' ' GLN . 1.9 m120 -68.61 -36.95 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.551 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.47 -49.38 61.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.728 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -76.31 -38.92 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -72.0 -10.39 59.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.26 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -67.49 -10.79 54.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 54.19 89.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.207 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -78.96 -63.79 1.33 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.705 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.467 ' CG ' ' H ' ' A' ' 49' ' ' THR . 29.4 t0 -161.73 -140.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.723 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 78.8 p -63.54 -169.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG13 HD11 ' A' ' 22' ' ' ILE . 52.9 t -63.98 -38.61 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -53.12 -34.39 56.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.996 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -87.31 -41.69 13.46 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.634 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -67.2 -28.65 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.712 0.291 . . . . 0.0 111.224 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.4 -53.17 7.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NE ' ' NH2' ' A' ' 10' ' ' ARG . 34.3 tpt85 -42.7 -45.18 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.228 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 57' ' ' LEU . 23.4 m -76.35 -39.7 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.752 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 56' ' ' VAL . 7.1 tp -58.16 -58.05 10.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 tt -59.65 -34.41 55.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.632 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -67.61 -54.81 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.8 mt -47.96 -55.12 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -45.8 -54.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 m -58.29 -28.05 64.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -69.45 -34.74 74.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.458 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 29.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.69 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 80.54 166.3 34.52 Favored Glycine 0 C--N 1.33 0.195 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.467 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.6 Cg_endo -74.11 -15.31 23.19 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.824 2.35 . . . . 0.0 111.925 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -58.79 -27.17 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.1 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 t -76.85 -39.98 49.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.986 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.4 p -43.72 -39.44 3.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.032 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.87 -64.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -51.65 -38.38 54.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -57.55 -56.06 26.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 68.1 mt -54.57 -32.87 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -74.88 -50.13 18.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.31 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.582 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 1.2 m-70 -62.27 -47.03 86.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.51 -37.94 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.012 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 68.3 m -60.7 -38.74 86.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.048 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -79.61 -26.96 41.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.562 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.09 -55.35 5.0 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.793 0.33 . . . . 0.0 111.397 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.68 106.69 26.38 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.358 0.663 . . . . 0.0 110.503 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -81.09 -20.3 7.49 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.317 1.345 . . . . 0.0 112.094 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -66.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.522 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' ' H ' ' A' ' 85' ' ' SER . 13.4 tp -59.6 -43.18 93.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.311 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.42 -10.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 83' ' ' LEU . 38.4 t -61.2 -42.38 98.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.182 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -86.26 -18.29 32.47 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.41 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.7 mtp -116.3 27.17 9.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.205 0.602 . . . . 0.0 110.708 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -136.61 58.81 0.65 Allowed Glycine 0 N--CA 1.47 0.952 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.638 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.91 -36.45 0.08 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.786 0.327 . . . . 0.0 111.615 -179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.854 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -165.3 80.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -147.33 49.29 1.1 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.571 ' CD1' HD21 ' A' ' 89' ' ' LEU . 9.4 tt -64.03 -51.56 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.609 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -52.14 -59.29 4.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 110.968 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -38.0 -57.08 1.08 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -67.86 -45.41 74.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.833 0.349 . . . . 0.0 111.2 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' ' 12' ' ' ILE . 63.2 mmtt -81.86 13.96 2.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.513 ' O ' HG22 ' A' ' 14' ' ' ILE . 23.9 ttp-105 -64.98 -36.93 85.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -78.02 -31.04 50.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.256 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HD2' ' A' ' 9' ' ' LYS . 98.4 mt -75.33 -57.79 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.354 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -55.73 -57.8 10.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.805 0.336 . . . . 0.0 111.207 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.6 HG23 ' N ' ' A' ' 15' ' ' HIS . 7.9 tt -47.26 -51.09 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.6 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.8 m80 -89.39 53.92 2.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.105 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.8 m -167.85 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.208 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 17' ' ' VAL . 10.0 p -41.19 122.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.358 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.66 143.45 22.49 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.692 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.47 -24.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.735 0.303 . . . . 0.0 111.474 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.96 -62.13 2.41 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.775 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -45.47 -34.43 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.68 0.276 . . . . 0.0 111.454 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.651 HD11 HG13 ' A' ' 50' ' ' VAL . 87.1 mt -53.69 -59.08 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.755 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -55.46 -37.26 67.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.5 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.37 -27.36 52.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 111.424 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -74.54 -59.2 2.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.76 -29.16 67.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -62.57 -44.35 96.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.389 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -64.83 -42.71 94.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.826 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -51.23 -46.47 62.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.655 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' GLU . 58.9 mt -56.71 -44.57 81.71 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.346 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -45.64 -45.84 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.437 179.727 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.4 -17.7 56.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.512 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 30' ' ' LEU . 14.1 mt-10 66.06 34.87 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.36 -41.75 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 pt -89.2 155.9 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.797 0.332 . . . . 0.0 110.378 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' ASP . 62.3 m -96.78 150.94 20.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.77 HE21 HD21 ' A' ' 41' ' ' ASN . 60.9 tp60 -45.73 -32.3 2.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.917 0.389 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.23 -38.03 84.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.152 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' SER . 58.6 m-20 -73.58 -52.76 12.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.311 179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.5 tpt -48.14 -31.14 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.0 109.881 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.77 HD21 HE21 ' A' ' 37' ' ' GLN . 2.6 m120 -71.64 -39.82 70.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.578 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.41 -48.32 37.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.138 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.2 t -70.72 -45.08 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -77.25 -0.97 27.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.021 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 41' ' ' ASN . 17.6 t70 -64.9 -6.76 9.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.417 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.99 72.09 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.882 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -77.25 -75.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -159.74 -141.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.64 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -64.72 -168.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 22' ' ' ILE . 55.5 t -64.74 -34.67 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -36.5 66.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.757 0.313 . . . . 0.0 111.15 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -86.83 -40.41 14.95 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.667 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -68.61 -29.7 68.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.719 0.295 . . . . 0.0 111.278 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.8 -54.11 6.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -43.0 -45.08 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' N ' ' A' ' 57' ' ' LEU . 19.9 m -72.81 -49.98 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.383 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.0 tp -46.77 -55.62 7.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.145 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 tt -62.56 -29.28 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.059 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -68.63 -43.72 75.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.7 mt -59.6 -55.45 34.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.095 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 60.5 t -44.64 -53.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -60.92 -35.71 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.307 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -59.34 -39.09 94.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 29.38 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.797 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.72 169.25 35.74 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.601 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.6 Cg_endo -74.82 -12.52 21.92 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.853 2.368 . . . . 0.0 111.984 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -59.62 -25.23 64.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.443 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -81.14 -28.26 35.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.3 p -54.15 -39.91 66.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 95.6 m -56.67 -65.18 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.063 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 89.4 mttt -57.52 -31.46 66.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.258 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.69 -51.37 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.8 mt -62.69 -34.48 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.346 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -71.09 -42.97 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.536 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 39.5 m-70 -69.26 -52.6 26.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.34 -33.61 13.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 78.9 m -63.31 -61.77 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.298 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.21 -2.55 2.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.558 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -104.62 -37.45 7.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.713 0.405 . . . . 0.0 111.614 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -150.4 77.49 8.09 Favored Pre-proline 0 N--CA 1.472 0.65 0 CA-C-O 120.758 0.313 . . . . 0.0 111.496 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.97 -26.26 24.51 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -69.28 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.7 tp -63.07 -36.29 83.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.56 . . . . 0.0 110.466 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -60.3 -18.01 46.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.442 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 p -57.39 -37.32 72.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.041 0.448 . . . . 0.0 109.989 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.22 -31.08 23.37 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.067 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.0 mtp -102.34 26.03 8.26 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.329 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -127.31 56.08 0.73 Allowed Glycine 0 N--CA 1.469 0.895 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.917 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.43 -51.87 2.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.978 0.418 . . . . 0.0 111.165 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.896 -179.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.82 0.343 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -164.55 95.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 68.1 mm-40 -150.05 65.86 0.97 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.23 -56.28 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.607 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -49.34 -59.25 3.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.687 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.86 -55.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.319 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.5 -48.32 78.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -81.87 10.95 5.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.8 tmt_? -60.57 -37.49 81.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.794 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.74 -28.59 55.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.6 mt -78.01 -68.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.964 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -46.06 -50.41 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.483 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -56.93 -49.52 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.571 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.7 m170 -93.68 56.71 2.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.546 0.339 . . . . 0.0 111.182 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.6 m -172.09 -33.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.759 0.314 . . . . 0.0 111.281 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -67.1 133.45 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.599 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.66 151.72 21.06 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.069 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.92 -18.92 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 0.0 111.12 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.03 -62.67 2.3 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.547 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 m -47.24 -37.38 10.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.611 0.243 . . . . 0.0 111.182 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD11 HG13 ' A' ' 50' ' ' VAL . 65.3 mt -53.0 -56.69 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.917 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -55.0 -40.55 70.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.769 0.318 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB1' ' OE2' ' A' ' 79' ' ' GLU . . . -75.36 -26.72 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.688 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.4 tm? -75.83 -58.2 3.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.87 -31.45 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -64.11 -43.88 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.225 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.581 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 10.2 t -62.36 -42.9 99.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.551 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -48.63 -45.48 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.93 -40.72 89.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.242 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.78 -45.61 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.407 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.441 ' OD2' ' NE2' ' A' ' 75' ' ' HIS . 6.1 m-20 -80.89 -17.2 51.43 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.395 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 64.97 38.07 6.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.093 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.4 -39.46 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.103 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 17.4 pt -89.02 154.57 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 120.945 0.402 . . . . 0.0 110.446 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' ASP . 64.6 m -97.93 149.75 22.07 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.369 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -41.86 -31.67 0.34 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.902 0.382 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -68.42 -41.82 79.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.396 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 m-20 -72.19 -43.02 65.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.237 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 ttt -55.81 -25.37 41.19 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -76.94 -39.88 49.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.048 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -51.09 51.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.948 0.404 . . . . 0.0 109.996 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -75.37 -52.58 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.689 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -55.22 -10.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.462 . . . . 0.0 111.021 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.17 -16.17 61.37 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.697 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.65 85.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -73.68 -81.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 49' ' ' THR . 28.1 p30 -161.85 -138.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 10.6 p -40.38 165.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.613 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 22' ' ' ILE . 41.1 t -61.27 -39.85 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.069 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.563 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpp? -44.81 -38.74 4.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.148 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.46 -49.46 10.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.501 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -56.8 -31.04 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.423 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 111.335 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -46.97 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.249 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.87 -37.94 70.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.749 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.53 -46.84 81.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.433 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.1 tt -69.37 -28.04 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.749 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -71.73 -43.93 65.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 111.237 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD22 ' OD2' ' A' ' 39' ' ' ASP . 12.0 mt -58.3 -48.81 79.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.57 -60.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.101 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -52.97 -42.15 65.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.178 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -52.58 -37.72 50.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.503 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.51 28.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.787 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.02 170.41 35.88 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.533 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.2 Cg_endo -74.86 -10.58 21.52 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.85 2.367 . . . . 0.0 112.004 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.0 0.428 . . . . 0.0 110.656 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.2 t -80.52 -32.88 36.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.035 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.518 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.1 p -50.1 -46.38 53.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.518 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 36.6 t -53.63 -61.9 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.194 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -59.18 -36.44 75.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -58.13 -51.21 70.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.76 -30.15 47.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.384 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -72.76 -47.14 49.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.581 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 40.1 m-70 -65.62 -40.7 92.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 tp -60.71 -32.89 72.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.82 -54.66 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.433 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.95 -13.0 62.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.741 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' OE2' ' HB1' ' A' ' 24' ' ' ALA . 52.4 mm-40 -93.1 -38.84 11.39 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -150.33 76.97 8.33 Favored Pre-proline 0 N--CA 1.473 0.687 0 CA-C-O 120.756 0.312 . . . . 0.0 111.432 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -50.98 -19.69 6.03 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.68 2.254 . . . . 0.0 112.077 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -69.45 -75.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.634 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' C ' ' H ' ' A' ' 85' ' ' SER . 12.4 tp -53.7 -39.23 65.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.23 0.538 . . . . 0.0 109.598 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.47 -9.12 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.811 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.5 t -65.94 -49.0 69.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.087 179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -83.71 11.14 7.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.173 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.1 mtp -146.03 19.32 1.43 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -123.4 52.99 0.76 Allowed Glycine 0 N--CA 1.472 1.042 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.992 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.11 -35.83 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.842 0.353 . . . . 0.0 111.712 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.96 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.836 0.351 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 9.8 p-10 -161.61 83.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.033 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -146.45 62.45 1.22 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.896 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -65.49 -77.71 0.06 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.656 -179.27 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.5 mm? -45.51 -60.04 2.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 110.866 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.79 -55.56 0.88 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.861 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.74 -48.6 65.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.729 0.299 . . . . 0.0 111.353 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -87.78 24.06 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 48.3 ttt-85 -76.86 -52.56 9.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.003 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.8 mtm180 -45.36 -29.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.26 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -78.63 -64.9 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.492 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -44.5 -53.3 7.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.586 HG23 ' N ' ' A' ' 15' ' ' HIS . 11.0 tt -56.34 -50.2 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.359 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.586 ' N ' HG23 ' A' ' 14' ' ' ILE . 45.6 m80 -88.62 52.28 2.39 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.4 m -170.29 -57.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.721 0.296 . . . . 0.0 111.419 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -37.15 130.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.884 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.36 149.63 22.08 Favored Glycine 0 C--N 1.335 0.514 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.681 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.38 -29.45 10.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 111.395 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.96 -46.28 17.41 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.9 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.2 m -57.73 -35.84 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.577 0.227 . . . . 0.0 111.407 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.52 HD11 HG13 ' A' ' 50' ' ' VAL . 72.5 mt -53.04 -61.45 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.753 0.311 . . . . 0.0 110.981 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -50.22 -40.43 47.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.232 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.37 -27.6 59.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.587 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -76.63 -57.38 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.405 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.19 -27.16 65.44 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -67.68 -42.32 82.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.288 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.8 t -65.05 -42.98 93.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.719 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -50.93 -44.55 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.462 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLU . 71.6 mt -57.94 -44.61 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.31 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -46.32 -44.91 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.463 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.37 -17.57 56.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.634 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 32.7 mt-10 64.76 34.34 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 p -75.37 -41.71 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.065 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.17 155.76 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.895 0.378 . . . . 0.0 110.354 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' ASP . 43.1 m -95.08 150.0 20.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 3.6 tp-100 -44.42 -31.67 1.14 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.737 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.19 -39.87 78.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 36.9 m-20 -70.05 -52.24 25.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.345 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.0 tpt -47.08 -33.96 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 110.099 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 2.3 m120 -70.95 -36.91 72.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.739 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -51.65 -48.59 63.32 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.822 0.344 . . . . 0.0 110.518 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -71.35 -52.33 27.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.017 0.437 . . . . 0.0 110.719 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -19.97 2.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.453 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 52.2 t0 -59.35 -15.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 47.35 80.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 11.8 p30 -70.23 -44.85 67.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 47' ' ' ASN . 20.8 t70 -171.52 -139.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.972 0.415 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.447 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 67.3 p -66.75 -170.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.38 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 22' ' ' ILE . 48.8 t -62.27 -51.62 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.062 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -42.9 -35.76 1.3 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.458 -179.499 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.62 -44.5 11.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.592 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -64.83 -21.95 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 111.208 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.38 -52.12 6.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -44.57 -41.54 6.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG23 ' N ' ' A' ' 57' ' ' LEU . 34.3 m -76.57 -46.24 31.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.484 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.2 tp -53.24 -55.34 25.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 tt -61.73 -31.54 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.33 -51.82 47.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.64 -44.21 62.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.026 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG21 ' CD2' ' A' ' 72' ' ' PHE . 59.6 t -55.88 -64.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -51.77 -24.32 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.268 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -66.83 -41.94 93.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.541 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -78.48 30.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.899 0.381 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.53 171.22 41.25 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.685 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.495 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.4 Cg_endo -74.93 -14.13 21.4 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.871 2.381 . . . . 0.0 112.022 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.22 -24.93 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 110.434 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -81.8 -25.65 35.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 6.1 p -51.76 -45.14 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 20.4 m -54.95 -64.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.5 mmtt -55.03 -31.16 60.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.494 ' CD2' HG21 ' A' ' 61' ' ' VAL . 59.1 t80 -70.23 -72.32 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.1 mt -43.75 -39.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.49 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.42 -60.99 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.6 m-70 -48.73 -28.65 3.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.696 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.1 tp -75.84 -31.87 59.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 56.1 m -60.09 -46.66 88.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.538 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.75 -25.24 53.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.681 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -83.61 -30.99 26.5 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.383 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -150.31 101.34 3.15 Favored Pre-proline 0 N--CA 1.47 0.537 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -82.11 -20.58 6.14 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.46 1.44 . . . . 0.0 111.969 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -68.62 -59.36 3.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.375 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.73 -52.62 56.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.113 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.2 -20.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.917 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 t -53.5 -35.63 60.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.167 0.508 . . . . 0.0 109.771 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -84.22 -38.5 20.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.253 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.507 ' O ' HD22 ' A' ' 89' ' ' LEU . 27.6 mtp -88.61 15.46 8.06 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.476 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.52 37.55 3.37 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.1 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.631 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.57 -34.22 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.626 0.37 . . . . 0.0 111.714 -179.413 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.4 m80 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.415 ' O ' ' OE1' ' A' ' 4' ' ' GLN . 4.6 p-10 -163.44 88.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 13.8 mm100 -152.6 56.33 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.515 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' CD1' HD21 ' A' ' 89' ' ' LEU . 9.1 tt -64.58 -56.54 13.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -50.98 -59.37 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 111.04 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -36.79 -65.02 0.31 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.95 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -64.18 -41.9 96.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -81.0 11.72 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -65.53 -46.27 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.975 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -65.73 -30.78 71.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.334 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.21 -57.67 5.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.491 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.63 -51.54 69.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.311 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.8 tt -52.01 -50.02 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.597 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 38.9 m80 -90.89 53.68 2.46 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.012 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -167.27 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.07 121.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.462 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -82.33 145.27 24.08 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.159 -0.544 . . . . 0.0 112.624 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -43.33 -22.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 111.37 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.49 -61.51 2.59 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.824 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -48.43 -35.77 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.48 0.181 . . . . 0.0 111.295 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 89.1 mt -51.59 -61.85 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -51.0 -39.09 54.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.447 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.32 -25.43 51.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.932 0.396 . . . . 0.0 111.507 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -75.69 -58.76 3.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.343 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.1 pp -59.26 -36.08 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.827 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' N ' HD12 ' A' ' 26' ' ' LEU . 38.9 t70 -57.85 -45.06 86.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.328 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.8 t -62.57 -42.67 99.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.935 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.8 mt -49.37 -44.9 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD12 HD11 ' A' ' 35' ' ' ILE . 7.6 mp -59.99 -42.51 94.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -46.7 -40.67 13.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -80.49 -19.82 45.06 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.743 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' LEU . 8.4 mt-10 67.8 34.05 4.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.023 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.85 -46.29 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 HD12 ' A' ' 30' ' ' LEU . 11.3 pt -89.4 156.39 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 120.901 0.382 . . . . 0.0 110.361 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 39' ' ' ASP . 44.6 m -99.32 150.83 21.72 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.703 ' NE2' HD21 ' A' ' 41' ' ' ASN . 41.9 tp60 -42.18 -30.48 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -69.72 -44.8 69.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.416 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 36' ' ' SER . 19.0 m-20 -68.05 -46.78 70.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.963 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.2 tpt -49.91 -35.13 22.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.772 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.703 HD21 ' NE2' ' A' ' 37' ' ' GLN . 7.1 m120 -66.96 -39.11 87.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.663 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -50.03 -48.59 52.67 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.098 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.2 t -72.76 -50.79 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.842 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -11.08 4.22 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.698 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.66 -13.32 13.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.808 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 44.22 73.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -63.47 -72.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.491 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 25.8 t0 -159.81 -141.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.486 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 7.6 m -45.96 158.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.09 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 50.7 t -47.25 -42.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.559 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -44.02 -32.79 1.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.81 0.338 . . . . 0.0 111.178 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -83.83 -54.32 4.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 36.8 mttp -54.16 -32.53 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.385 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.13 -40.04 32.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.372 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -54.1 -44.5 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 57' ' ' LEU . 24.5 m -77.06 -45.17 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.628 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.5 tp -49.25 -57.75 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 111.27 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 tt -64.13 -32.83 58.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.617 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.455 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.3 -52.66 63.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.288 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -47.39 -55.83 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.285 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -58.83 -25.96 63.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.384 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -70.57 -39.12 68.37 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.603 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -78.8 30.52 0.2 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.906 0.384 . . . . 0.0 110.754 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.85 167.22 34.69 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.665 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.494 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.6 Cg_endo -75.43 -15.66 19.7 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.958 2.439 . . . . 0.0 112.032 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -57.23 -25.81 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.536 . . . . 0.0 109.903 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.7 t -78.15 -25.99 47.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.911 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 5.5 p -54.16 -49.63 68.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.185 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.552 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 64.2 m -46.41 -53.26 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.281 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -67.64 -27.22 66.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.377 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -71.66 -38.75 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 73.8 mt -73.96 -33.73 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.358 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -74.29 -42.69 59.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.059 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 7.5 m-70 -66.96 -42.47 85.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.01 -30.93 71.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.2 -58.21 8.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.619 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 78' ' ' GLU . 1.8 pp20? -66.82 -14.23 62.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.764 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -89.93 -49.76 6.42 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -138.12 78.48 34.34 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 122.7 0.4 . . . . 0.0 111.522 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.19 -23.91 10.5 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.586 2.191 . . . . 0.0 111.941 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.88 -73.13 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.7 tp -55.91 -30.22 61.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.191 0.52 . . . . 0.0 110.299 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -64.53 -13.14 51.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.548 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 p -62.85 -44.59 95.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.976 0.417 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -84.62 -14.81 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.353 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 17.4 mtp -119.1 28.63 8.14 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.204 0.601 . . . . 0.0 110.424 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -134.21 58.14 0.69 Allowed Glycine 0 N--CA 1.469 0.891 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.918 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.0 -44.88 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 111.348 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.6 m170 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.923 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 17.0 p-10 -163.93 83.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -153.71 43.8 0.58 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.28 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 tt -44.12 -56.8 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.633 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.9 mm? -50.77 -59.78 3.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 111.071 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.94 -64.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.596 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -59.86 -42.76 94.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.338 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HD2' HD12 ' A' ' 12' ' ' ILE . 30.5 mmtp -85.12 12.01 8.64 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.163 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 6' ' ' LEU . 35.5 ttp180 -62.43 -35.16 78.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.076 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -77.22 -28.32 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.366 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' HD2' ' A' ' 9' ' ' LYS . 62.7 mt -74.71 -68.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.116 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -51.07 -50.12 59.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.657 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 15' ' ' HIS . 9.7 tt -55.36 -50.39 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.562 ' N ' HG23 ' A' ' 14' ' ' ILE . 40.4 m80 -89.73 55.72 3.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.257 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -170.21 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.214 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -41.09 121.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.513 -179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -88.13 138.42 15.04 Favored Glycine 0 C--N 1.335 0.507 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.517 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -34.39 -28.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -72.61 -49.18 19.75 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.672 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 75.4 m -63.26 -36.45 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.609 HD11 HG13 ' A' ' 50' ' ' VAL . 9.4 mt -51.31 -62.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.917 0.389 . . . . 0.0 111.263 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -52.7 -39.43 61.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.516 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.6 -28.03 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.404 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.483 HD13 ' C ' ' A' ' 25' ' ' LEU . 2.0 tm? -72.52 -59.02 2.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.181 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -55.67 -32.43 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -58.43 -50.91 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 6.2 t -59.76 -41.28 90.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.5 mt -50.76 -48.64 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.66 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.15 -42.02 76.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.383 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -47.95 -43.49 29.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.49 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.94 -18.66 53.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.443 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 65.4 34.86 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.92 -39.8 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.98 154.9 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.838 0.351 . . . . 0.0 110.668 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' ASP . 3.0 t -91.45 148.06 22.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.751 HE22 HD21 ' A' ' 41' ' ' ASN . 1.0 OUTLIER -46.06 -28.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.471 . . . . 0.0 110.058 179.232 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.03 -37.81 69.68 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.391 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 68.0 m-20 -71.63 -49.18 42.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.1 tpt -49.16 -33.8 13.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 0.0 109.921 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.751 HD21 HE22 ' A' ' 37' ' ' GLN . 2.8 m120 -69.69 -38.24 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.61 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -50.74 -48.51 59.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.69 -47.86 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -53.18 -29.92 34.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.101 0.477 . . . . 0.0 110.774 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -52.34 -19.6 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 43.95 79.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.984 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -59.26 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 49' ' ' THR . 34.8 t0 -160.34 -141.25 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 68.3 p -52.42 -168.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.237 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 HD11 ' A' ' 22' ' ' ILE . 55.0 t -72.34 -23.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.509 ' N ' ' SD ' ' A' ' 51' ' ' MET . 1.8 mpp? -61.32 -42.99 99.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.777 0.322 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -80.84 -37.49 29.89 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.538 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -68.96 -41.72 77.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.0 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -74.55 -25.72 59.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -64.95 -48.39 74.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 57' ' ' LEU . 18.8 m -74.43 -46.64 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.437 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.2 tp -45.89 -52.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.32 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 19.7 tt -71.03 -26.02 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.205 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -71.7 -38.38 70.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.49 -44.48 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 72' ' ' PHE . 91.1 t -53.41 -61.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -48.95 -47.77 43.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.402 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -44.92 -42.95 8.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.786 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -77.17 28.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.84 0.352 . . . . 0.0 111.027 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.01 170.78 36.51 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.669 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 98.3 Cg_endo -76.63 -13.64 18.04 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.91 2.407 . . . . 0.0 112.091 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.62 -24.65 61.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 110.329 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -80.47 -27.63 37.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.894 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 6.7 p -50.05 -50.63 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 13.4 m -45.47 -54.29 7.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 77.5 mttt -67.02 -25.96 66.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.473 ' CD1' HG21 ' A' ' 61' ' ' VAL . 56.3 t80 -73.41 -43.48 60.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.446 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.48 -31.78 39.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.337 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -78.18 -54.7 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.587 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -53.06 -30.49 36.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.82 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.3 tp -74.08 -52.76 11.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.0 m -45.56 -28.27 0.91 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.363 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -80.31 -46.5 16.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.66 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -74.13 -52.35 12.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.622 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -117.28 97.96 51.36 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 123.181 0.592 . . . . 0.0 110.99 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -82.91 -13.49 9.22 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.587 1.524 . . . . 0.0 111.946 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.04 -64.93 1.02 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.372 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.71 -44.91 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.152 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.32 -13.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.312 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.2 t -54.18 -35.0 61.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 0.0 110.099 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -85.47 -36.94 20.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.466 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.2 mmm -92.77 15.24 15.06 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.727 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -106.39 45.71 1.27 Allowed Glycine 0 N--CA 1.468 0.797 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.718 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.976 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -35.48 -37.09 0.08 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 111.784 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 36.5 t60 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.947 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.353 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 4' ' ' GLN . 8.7 p-10 -162.05 85.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 3' ' ' ASP . 94.0 mm-40 -153.54 45.65 0.63 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.36 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.35 -60.76 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.02 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -45.51 -54.97 6.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.823 0.344 . . . . 0.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -40.12 -53.39 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.501 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -71.23 -43.88 66.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.448 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HD2' HD12 ' A' ' 12' ' ' ILE . 66.4 mmtt -80.97 7.28 11.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.078 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 26.6 ttp180 -58.29 -41.39 84.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -76.4 -27.26 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD12 ' HD2' ' A' ' 9' ' ' LYS . 95.5 mt -76.59 -70.67 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -47.5 -50.99 22.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.572 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.612 ' CD1' ' HE ' ' A' ' 55' ' ' ARG . 3.1 tt -54.07 -50.24 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.685 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.561 ' N ' HG23 ' A' ' 14' ' ' ILE . 31.9 m170 -93.41 55.09 2.18 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.456 0.302 . . . . 0.0 111.208 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -171.42 -33.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.758 0.313 . . . . 0.0 111.216 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.3 p -62.77 127.91 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.557 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.86 142.76 22.77 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.413 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.09 -28.95 0.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.859 0.362 . . . . 0.0 111.244 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -63.28 3.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.696 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.0 m -42.89 -39.92 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.596 0.236 . . . . 0.0 111.217 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.405 HD11 HG13 ' A' ' 50' ' ' VAL . 64.8 mt -50.21 -56.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.021 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -53.86 -42.77 68.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.236 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 -25.35 59.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.692 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -76.72 -58.43 3.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.315 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -56.72 -30.22 63.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.76 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.2 -47.14 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.393 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 7.7 t -60.5 -41.72 94.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.68 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.0 mt -50.12 -47.22 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.424 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.5 mt -55.75 -41.97 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.132 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.84 -39.21 68.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.607 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.5 -18.29 59.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 65.71 29.8 10.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.5 -43.74 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.936 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.0 pt -89.4 155.55 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.464 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.5 m -103.09 155.13 18.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 122.975 0.51 . . . . 0.0 110.615 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.577 ' NE2' HD21 ' A' ' 41' ' ' ASN . 16.2 tm0? -44.39 -29.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -68.62 -48.17 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.02 -49.39 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.388 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.7 tpt -47.16 -33.58 5.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.577 HD21 ' NE2' ' A' ' 37' ' ' GLN . 3.0 m120 -72.25 -35.68 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.799 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -52.71 -47.05 67.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.89 -53.77 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -52.02 -15.74 0.61 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.111 0.481 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' OE2' ' A' ' 46' ' ' GLU . 31.2 t70 -69.39 -1.38 8.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.423 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER 32.73 99.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.786 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -76.34 -66.08 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.754 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 33.6 t0 -162.56 -140.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.801 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.485 HG22 ' N ' ' A' ' 50' ' ' VAL . 10.2 m -54.11 162.98 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.216 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' THR . 42.7 t -42.38 -47.58 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -43.47 -37.91 2.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.7 0.286 . . . . 0.0 111.27 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -45.37 13.64 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.538 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -59.38 -29.89 68.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.251 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.07 11.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.362 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.612 ' HE ' ' CD1' ' A' ' 14' ' ' ILE . 13.4 tpp85 -42.21 -47.58 4.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.2 m -75.36 -47.19 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.847 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.4 tp -50.26 -57.7 7.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.223 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.3 tt -61.16 -32.88 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -64.98 -50.85 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.447 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.59 -38.23 66.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.393 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.51 -65.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 111.222 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 m -57.57 -19.57 26.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.55 11.86 17.27 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -138.58 47.58 1.96 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.918 0.487 . . . . 0.0 110.579 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.89 162.78 3.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.572 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 88.4 Cg_endo -75.46 -8.64 19.69 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.67 2.247 . . . . 0.0 111.87 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -60.43 -24.36 65.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.046 0.45 . . . . 0.0 110.567 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 t -80.87 -35.31 32.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.499 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.8 p -49.3 -45.96 45.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.499 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 78.5 m -53.33 -60.65 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.314 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 67.0 mttt -61.56 -29.93 70.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.252 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -65.76 -53.54 39.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.38 -33.55 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.434 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -68.71 -58.5 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.24 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 27.4 m-70 -54.02 -31.56 51.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.973 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.2 tp -72.83 -33.74 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.235 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 74.8 m -59.43 -46.47 88.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.654 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -75.66 -24.06 56.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.682 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.96 -34.85 26.35 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.644 0.259 . . . . 0.0 111.643 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -149.95 108.07 3.24 Favored Pre-proline 0 N--CA 1.474 0.728 0 CA-C-O 119.232 -0.414 . . . . 0.0 110.975 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.65 -29.7 1.7 Allowed 'Trans proline' 0 C--N 1.362 1.257 0 C-N-CA 121.442 1.428 . . . . 0.0 111.956 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.25 -62.52 1.82 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.38 -52.51 61.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.052 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -51.25 -18.9 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.949 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -55.41 -36.56 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.112 0.482 . . . . 0.0 109.859 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -80.92 -37.87 28.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.94 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.9 mtp -88.5 11.19 17.78 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.357 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -99.77 44.52 1.64 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.863 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.658 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.1 -33.97 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.082 0.553 . . . . 0.0 111.95 -179.616 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 88' ' ' GLY . 53.9 t-80 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.38 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -162.35 86.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -154.02 50.77 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.259 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -56.96 -59.57 4.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.194 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -48.19 -57.11 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.339 . . . . 0.0 111.027 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -55.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.502 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -67.92 -44.27 77.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.218 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.9 mmtp -83.05 12.54 4.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.935 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 46.9 ttp180 -65.05 -34.33 78.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.04 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -78.0 -29.39 49.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.435 HD12 ' HD2' ' A' ' 9' ' ' LYS . 89.3 mt -76.41 -65.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.835 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -49.3 -53.59 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.357 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.577 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -53.23 -49.7 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.615 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.577 ' N ' HG23 ' A' ' 14' ' ' ILE . 37.4 m80 -91.21 52.76 2.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.757 0.313 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.1 m -167.67 -52.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 8.9 p -43.2 124.87 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.25 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.34 144.02 24.25 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.5 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.63 -26.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.283 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.16 -62.21 2.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.674 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.0 m -42.94 -37.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.533 0.206 . . . . 0.0 111.257 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.471 HD11 HG13 ' A' ' 50' ' ' VAL . 67.3 mt -52.01 -59.32 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.687 0.28 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -52.26 -40.9 62.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.35 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.69 -25.62 56.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.693 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.2 tm? -77.48 -58.15 3.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 -179.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.58 -28.59 65.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.718 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -66.43 -44.19 83.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.22 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -62.59 -43.22 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.676 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.0 mt -49.18 -46.58 45.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.352 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 80.1 mt -56.14 -44.07 78.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.333 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -45.76 -44.88 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.338 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -79.89 -17.98 51.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 25.7 mt-10 64.81 32.31 11.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 p -75.37 -39.23 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.476 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.1 pt -88.52 153.51 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 39' ' ' ASP . 13.9 m -89.93 148.73 22.95 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.765 HE22 HD21 ' A' ' 41' ' ' ASN . 0.1 OUTLIER -46.82 -33.62 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.055 0.455 . . . . 0.0 110.335 179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -70.13 -34.14 72.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.499 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 50.7 m-20 -72.05 -51.53 21.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.2 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' ' 40' ' ' MET . 3.3 tmm? -49.24 -31.49 8.86 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.765 HD21 HE22 ' A' ' 37' ' ' GLN . 9.6 m120 -68.69 -41.86 78.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.941 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -50.5 -48.21 57.03 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 t -70.73 -48.96 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.029 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -11.57 27.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.706 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -66.07 -12.2 53.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.786 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 50.8 82.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -75.57 -49.75 17.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' ' 49' ' ' THR . 28.6 t0 -171.62 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.442 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 35.5 p -66.26 179.67 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG13 HD11 ' A' ' 22' ' ' ILE . 56.0 t -55.9 -33.81 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.116 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -40.56 72.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 0.0 111.133 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.81 -37.06 21.21 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.897 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -70.01 -32.53 70.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -79.13 -35.59 41.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -56.7 -43.8 80.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.4 m -76.06 -46.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.621 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.1 tp -49.19 -56.17 10.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.345 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 54' ' ' ALA . 18.2 tt -60.96 -38.52 79.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.376 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -61.67 -56.83 15.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.172 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.8 mt -44.71 -46.58 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.7 t -50.94 -59.77 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.242 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.5 m -58.49 -19.96 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.0 13.84 12.84 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 38.4 mmtm -138.18 44.99 2.12 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.893 0.477 . . . . 0.0 110.516 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.87 162.99 3.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 83.0 Cg_endo -74.73 -9.66 21.27 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.762 2.308 . . . . 0.0 111.812 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -61.37 -25.54 67.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.982 0.42 . . . . 0.0 110.484 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.3 t -79.56 -31.57 41.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.848 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.1 p -49.55 -37.7 28.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.13 -69.01 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.061 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 47.3 mttm -49.48 -26.42 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.176 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -70.59 -53.37 16.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.162 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.7 -32.25 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.441 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -74.29 -51.83 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.315 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 2.0 m-70 -59.66 -31.36 69.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.108 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.8 -33.62 62.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -58.99 -47.61 84.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.612 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -76.47 -24.51 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.71 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -83.94 -30.68 26.08 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.838 0.352 . . . . 0.0 111.267 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -149.75 99.89 3.31 Favored Pre-proline 0 N--CA 1.469 0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -82.42 -13.12 9.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 121.47 1.446 . . . . 0.0 111.829 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.02 -63.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.335 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.09 -47.03 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.835 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -52.47 -15.32 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.868 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 t -55.09 -37.06 66.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.203 0.525 . . . . 0.0 109.834 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -83.93 -35.35 24.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.28 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mtp -92.86 16.0 13.48 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -105.65 44.56 1.45 Allowed Glycine 0 N--CA 1.468 0.788 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.303 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -32.93 -33.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.832 0.453 . . . . 0.0 111.86 -179.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 88' ' ' GLY . 85.8 t60 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 10.8 p-10 -160.9 82.09 0.65 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.78 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -151.23 51.98 0.84 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.0 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.35 -60.55 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.865 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.631 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.1 mm? -48.39 -61.9 1.77 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 0.0 111.421 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -39.45 -50.8 2.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.768 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -70.07 -47.83 60.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 111.293 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -83.11 13.88 3.8 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.651 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.618 HH21 ' NH1' ' A' ' 55' ' ' ARG . 47.0 ttt-85 -61.06 -34.36 74.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -74.73 -26.63 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.282 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.7 mt -77.71 -69.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.247 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -45.88 -51.37 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.461 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' N ' ' A' ' 15' ' ' HIS . 6.3 tt -55.41 -50.03 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.531 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.57 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.1 m170 -91.25 52.57 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.825 0.345 . . . . 0.0 111.025 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.4 m -165.9 -53.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 18' ' ' GLY . 5.8 p -44.12 166.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -146.22 147.24 18.07 Favored Glycine 0 C--N 1.337 0.624 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -33.96 -39.5 0.07 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.94 -56.17 26.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.511 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 m -65.09 -36.79 85.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.622 0.249 . . . . 0.0 111.454 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 50' ' ' VAL . 82.7 mt -51.99 -59.26 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 111.409 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -54.59 -40.12 68.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.523 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' HB1' ' CD ' ' A' ' 79' ' ' GLU . . . -75.46 -26.17 58.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.665 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.86 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.06 -26.72 64.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.003 0.43 . . . . 0.0 110.612 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -65.37 -45.15 85.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.35 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.582 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 8.4 t -63.91 -42.41 97.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.782 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.7 mt -49.93 -47.29 52.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.594 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 33' ' ' GLU . 54.0 mt -56.86 -43.57 81.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -45.62 -46.12 14.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.52 -18.06 55.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.596 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mt-10 65.95 34.18 7.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.95 -40.19 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.1 pt -89.18 156.02 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.432 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 39' ' ' ASP . 58.7 m -97.83 151.05 20.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -44.62 -31.76 1.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.683 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -68.67 -39.96 80.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.356 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 59.1 m-20 -71.56 -50.83 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.234 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 tpt -47.5 -32.33 5.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.034 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' HD22 ' A' ' 41' ' ' ASN . 2.0 m120 -72.81 -38.35 67.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.002 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -51.34 38.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.361 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 t -69.81 -49.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.039 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.516 ' NH1' ' OE2' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -57.39 -20.81 32.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.535 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -57.57 -19.3 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.516 ' OE2' ' NH1' ' A' ' 44' ' ' ARG . 46.5 mt-10 48.64 76.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -64.23 -64.15 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.01 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -159.88 -141.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 50' ' ' VAL . 11.0 m -57.22 160.73 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.192 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.655 HG13 HD11 ' A' ' 22' ' ' ILE . 77.8 t -43.36 -26.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.569 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -57.35 -42.26 81.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -84.03 -38.82 20.4 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.602 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -70.13 -28.5 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.644 0.259 . . . . 0.0 111.243 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.02 -51.06 9.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH1' HH21 ' A' ' 10' ' ' ARG . 14.8 tpp85 -47.39 -42.42 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.081 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 57' ' ' LEU . 15.7 m -72.3 -51.49 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.368 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.9 tp -47.62 -54.56 11.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.139 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.38 -24.8 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.513 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -75.96 -41.88 50.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.154 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.7 -40.75 93.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.825 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.71 -69.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.6 m -49.1 -17.13 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -78.53 -36.51 29.71 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.526 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 48.0 mmtt -77.65 29.56 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 67' ' ' LYS . . . 77.69 134.46 0.74 Allowed Glycine 0 CA--C 1.533 1.174 0 CA-C-O 118.921 -0.933 . . . . 0.0 112.342 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 39.0 Cg_exo -41.3 -16.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.344 0 CA-C-N 120.576 2.188 . . . . 0.0 113.196 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' A' ' 65' ' ' GLY . 42.6 tttm -54.54 -26.53 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 110.537 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.6 t -82.55 -20.14 37.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.865 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 3.5 p -59.33 -39.42 83.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.431 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.8 m -54.26 -61.78 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.346 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 40.1 mttp -60.88 -27.75 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.361 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -67.81 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.118 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.2 mt -49.72 -36.03 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.387 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -73.63 -51.0 18.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.302 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.582 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 6.2 m-70 -59.87 -36.83 77.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.092 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.11 -33.85 74.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 93.1 m -59.34 -49.47 77.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.756 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.91 -21.64 59.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.83 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CD ' ' HB1' ' A' ' 24' ' ' ALA . 53.5 mm-40 -86.12 -31.91 21.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.673 0.273 . . . . 0.0 111.33 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -147.65 98.85 3.86 Favored Pre-proline 0 N--CA 1.471 0.621 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -82.45 -14.04 9.48 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 121.521 1.48 . . . . 0.0 111.963 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.5 tp60 -71.99 -62.17 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.283 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 85' ' ' SER . 4.3 tp -66.65 -49.5 65.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.797 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.81 -13.85 0.17 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.702 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 83' ' ' LEU . 32.5 t -54.61 -35.58 63.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.992 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -86.15 -35.75 19.95 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.296 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.2 mtp -90.72 12.4 19.24 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.469 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -97.76 41.37 2.3 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.191 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.626 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -31.68 -32.42 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 122.991 0.516 . . . . 0.0 111.925 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 88' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.883 0.373 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 17.7 p-10 -160.65 80.56 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.778 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 3' ' ' ASP . 14.2 mm100 -145.31 56.37 1.23 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.246 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.53 -52.62 64.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.219 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.2 mm? -53.75 -62.58 1.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.26 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -38.67 -54.74 1.54 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.704 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -66.12 -48.9 69.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.063 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -85.31 19.19 2.36 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.003 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' LEU . 34.4 ttp85 -67.91 -38.05 82.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 -74.28 -26.1 60.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.6 mt -77.48 -68.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.29 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -46.01 -53.06 10.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.389 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.572 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.5 tt -53.6 -50.73 48.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.569 -179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.572 ' N ' HG23 ' A' ' 14' ' ' ILE . 39.9 m80 -88.78 56.42 3.74 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.11 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -170.4 -56.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.293 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -40.43 125.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.646 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.28 142.12 21.06 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 121.229 -0.51 . . . . 0.0 112.582 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -38.46 -39.72 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -63.77 3.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.827 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.3 m -42.67 -36.18 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.534 0.207 . . . . 0.0 111.55 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.639 HD11 HG13 ' A' ' 50' ' ' VAL . 92.1 mt -54.05 -52.11 39.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.71 0.29 . . . . 0.0 111.664 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -60.14 -40.15 88.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.404 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.55 -28.6 61.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.9 tm? -73.02 -58.59 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.317 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.1 -29.47 63.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.983 0.421 . . . . 0.0 110.384 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.29 -51.71 68.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.265 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.743 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 8.4 t -59.11 -40.22 84.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.517 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 mt -55.82 -45.29 78.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.74 -38.18 66.84 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -58.14 -35.77 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.77 -18.05 62.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 66.48 27.11 9.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.019 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -75.46 -47.95 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 pt -90.99 155.3 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 120.947 0.404 . . . . 0.0 110.61 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 p -104.17 164.7 11.54 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -48.48 -28.1 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.16 0.505 . . . . 0.0 109.799 179.295 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -68.89 -63.64 1.02 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -52.61 -44.18 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.241 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.3 tpt -49.16 -36.53 19.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 37' ' ' GLN . 3.8 m120 -66.87 -36.81 83.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.008 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.04 -46.31 64.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.708 0.29 . . . . 0.0 110.432 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.8 t -75.19 -53.13 16.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.04 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -57.24 -11.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.107 0.479 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -56.78 -16.22 6.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 43.89 65.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -58.05 -56.21 25.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' OD2' ' OD2' ' A' ' 52' ' ' ASP . 21.7 m-20 -159.86 -141.63 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.95 0.405 . . . . 0.0 110.784 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 t -60.46 -170.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.268 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.639 HG13 HD11 ' A' ' 22' ' ' ILE . 44.9 t -61.47 -57.55 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.1 mtt -38.28 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.766 0.317 . . . . 0.0 111.689 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' VAL . 20.0 t0 -86.77 -52.57 5.43 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.441 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' NZ ' HG21 ' A' ' 22' ' ' ILE . 8.7 mtmp? -60.25 -29.64 68.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.138 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.63 -42.89 23.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -49.13 -45.94 44.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 57' ' ' LEU . 25.2 m -76.87 -43.99 32.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.626 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.444 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.2 tp -49.87 -56.44 10.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.241 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 tt -65.98 -33.68 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.444 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -68.51 -33.32 73.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.933 0.397 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.79 -58.55 4.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.331 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.6 t -43.84 -52.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -56.97 -30.24 63.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -80.77 -38.61 15.86 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.676 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -75.65 28.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 84.58 155.13 22.29 Favored Glycine 0 CA--C 1.521 0.433 0 CA-C-N 116.059 -0.518 . . . . 0.0 112.454 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 65.6 Cg_endo -78.62 4.68 6.17 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.401 2.068 . . . . 0.0 112.005 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -62.86 -36.38 83.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -84.56 -11.22 56.46 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.45 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 4.4 p -57.97 -51.84 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 87.7 m -60.51 -53.03 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.141 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -60.11 -36.11 76.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.5 -57.06 13.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.51 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -51.25 -38.97 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 110.607 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -65.26 -59.34 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.743 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 40.5 m-70 -50.98 -36.84 41.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.726 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.8 tp -63.99 -31.81 73.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 36.5 m -63.33 -48.65 77.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.7 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -77.45 -13.98 59.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.792 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -93.93 -35.15 12.8 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -149.89 77.59 8.45 Favored Pre-proline 0 N--CA 1.471 0.624 0 CA-C-O 120.636 0.255 . . . . 0.0 111.411 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.79 -28.12 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.697 2.264 . . . . 0.0 112.261 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -64.38 -72.02 0.16 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.1 tp -55.47 -31.56 62.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.191 0.519 . . . . 0.0 110.377 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -66.02 -15.03 62.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.659 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 p -59.76 -39.09 83.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.945 0.402 . . . . 0.0 110.588 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -88.41 -22.11 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 45.2 mmm -112.29 24.42 12.58 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.135 0.574 . . . . 0.0 110.333 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -126.21 54.63 0.75 Allowed Glycine 0 N--CA 1.471 1.027 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.661 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.57 -36.1 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.849 0.357 . . . . 0.0 111.622 -179.553 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 90' ' ' HIS . 27.4 p80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.845 0.355 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.3 p-10 -165.0 94.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -154.6 61.75 0.67 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 tt -61.85 -53.19 59.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.705 ' H ' HD22 ' A' ' 6' ' ' LEU . 2.5 mm? -51.84 -63.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.938 0.399 . . . . 0.0 110.74 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.88 -57.46 0.81 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.815 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -62.96 -50.6 70.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.247 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' CB ' ' SD ' ' A' ' 87' ' ' MET . 36.6 mmtm -82.05 14.69 2.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 6' ' ' LEU . 14.0 tpt180 -60.98 -38.55 86.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -75.04 -27.19 59.93 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.336 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -76.08 -71.98 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.243 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -46.58 -50.98 16.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.636 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 15' ' ' HIS . 2.6 tt -53.66 -49.89 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.43 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.549 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.2 m170 -91.75 52.55 2.05 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.209 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.3 m -168.37 -53.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.317 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 p -40.9 123.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.504 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' GLY . . . -84.22 142.24 20.39 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 121.31 -0.472 . . . . 0.0 112.632 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -41.3 -20.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.71 0.291 . . . . 0.0 111.417 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' GLY . . . -77.14 -60.16 2.95 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.693 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -51.61 -31.79 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.662 HD11 HG13 ' A' ' 50' ' ' VAL . 85.2 mt -56.49 -47.39 81.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.738 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -65.06 -37.26 86.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.55 -27.42 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.43 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.19 -58.23 3.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.438 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 pp -59.45 -32.93 70.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -62.39 -41.7 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 75' ' ' HIS . 7.3 t -65.8 -43.26 89.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.828 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.7 mt -48.66 -47.95 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.629 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.4 mt -57.66 -44.56 85.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -46.22 -40.19 10.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.95 -20.93 40.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.61 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' LEU . 17.2 mt-10 67.48 34.19 4.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.3 -37.9 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.972 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 pt -88.62 -168.55 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.332 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 m -144.76 156.79 44.24 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.977 0.418 . . . . 0.0 111.06 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.517 ' NE2' ' OD1' ' A' ' 41' ' ' ASN . 9.1 tm0? -42.5 -27.99 0.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.102 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -69.19 -54.54 14.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 5.0 m-20 -67.15 -47.48 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.684 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.5 ttt -46.57 -36.63 7.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.11 0.481 . . . . 0.0 110.288 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.546 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.9 OUTLIER -69.89 -37.9 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.768 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -51.42 -48.21 62.76 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.712 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.7 t -71.1 -51.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.991 0.424 . . . . 0.0 111.052 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.45 -21.63 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.868 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -55.46 -23.75 27.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 52.01 90.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -75.59 -64.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' CG ' ' H ' ' A' ' 49' ' ' THR . 21.5 t70 -160.81 -141.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 1.8 t -52.44 172.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.105 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.662 HG13 HD11 ' A' ' 22' ' ' ILE . 48.3 t -53.25 -38.68 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.0 mtp -46.07 -40.1 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.714 0.293 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 0.3 OUTLIER -80.93 -48.74 11.91 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.267 -179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 41.7 mttp -54.23 -34.25 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.187 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.74 -51.34 9.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.295 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.8 ttp85 -42.81 -45.34 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.58 -51.42 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.606 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 ' N ' HG23 ' A' ' 56' ' ' VAL . 10.8 tp -47.24 -50.74 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.446 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.4 tt -70.67 -26.87 29.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.461 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -72.38 -42.21 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.1 mt -59.86 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.76 -59.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -50.26 -49.26 53.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -46.86 -39.82 11.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.648 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 29.3 mmtm -76.14 28.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 110.792 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.41 169.24 32.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.506 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 85.7 Cg_endo -75.33 -13.89 20.6 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.806 2.337 . . . . 0.0 111.974 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -58.9 -26.47 64.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.001 0.429 . . . . 0.0 110.325 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -79.59 -27.84 41.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -52.2 -44.16 64.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.095 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.478 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 18.9 t -50.9 -56.8 10.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.258 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 72.3 mttt -63.88 -28.46 69.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.29 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -69.63 -41.9 75.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 82.5 mt -70.82 -39.58 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.42 -46.77 69.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.591 ' CE1' ' SG ' ' A' ' 28' ' ' CYS . 14.5 m-70 -60.28 -62.86 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.1 tp -39.52 -39.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.767 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 92.6 m -60.88 -50.91 71.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.88 -11.91 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -177.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -107.92 -37.04 6.2 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.273 0.488 . . . . 0.0 112.099 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -134.52 74.28 66.21 Favored Pre-proline 0 N--CA 1.481 1.089 0 CA-C-O 120.888 0.375 . . . . 0.0 111.31 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -54.89 -26.41 48.42 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 123.02 2.48 . . . . 0.0 112.736 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.92 -75.43 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 29.7 tp -53.54 -33.37 54.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -59.02 -10.28 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.554 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 9.3 t -64.51 -46.54 82.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.274 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -86.24 1.44 50.81 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.451 ' SD ' ' CB ' ' A' ' 9' ' ' LYS . 64.7 mmm -139.58 32.09 2.06 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.411 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -153.18 62.0 0.38 Allowed Glycine 0 C--N 1.334 0.451 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -34.58 -34.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 122.803 0.441 . . . . 0.0 111.687 -179.437 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.943 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.914 0.388 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.2 p-10 -164.43 88.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.724 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -151.81 56.33 0.85 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.645 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 89' ' ' LEU . 8.8 tt -56.89 -63.59 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.26 -41.23 5.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.991 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 9' ' ' LYS . 57.1 ttt-85 -58.17 -66.7 0.44 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.224 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -70.95 12.36 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.367 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 7' ' ' ARG . 41.1 mmtm -137.97 6.5 2.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.934 0.494 . . . . 0.0 110.266 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 6' ' ' LEU . 55.0 ttp180 -64.56 -33.73 76.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 20.6 ptt180 -73.16 -26.0 61.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.3 mt -79.07 -73.48 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -42.51 -47.71 5.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.494 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.8 tt -60.45 -48.67 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.834 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.552 ' N ' HG23 ' A' ' 14' ' ' ILE . 36.1 m80 -87.17 50.7 2.06 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.195 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 m -169.87 -52.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.205 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.5 p -41.46 122.45 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.024 0.44 . . . . 0.0 111.491 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.59 144.24 23.08 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.376 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.29 -24.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.264 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.49 -59.9 2.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.7 m -44.53 -37.62 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.584 0.231 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 50' ' ' VAL . 65.5 mt -51.47 -59.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.921 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.0 -40.73 64.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.472 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.06 -25.91 56.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.594 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.1 tm? -77.02 -58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.262 -179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 pp -58.37 -29.63 66.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.491 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.57 -44.53 90.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.438 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.584 ' SG ' ' CG ' ' A' ' 75' ' ' HIS . 8.2 t -63.99 -40.33 96.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.2 mt -50.24 -51.17 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.34 -43.52 75.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.32 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.19 -40.62 24.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.477 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 67.29 30.18 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.54 -43.41 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.0 pt -87.92 155.18 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.132 0.492 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.7 t -94.39 164.57 12.96 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.959 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.646 HE22 HD21 ' A' ' 41' ' ' ASN . 0.0 OUTLIER -59.56 -23.65 63.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -74.16 -40.94 62.24 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.461 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -73.42 -40.99 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.221 0.534 . . . . 0.0 109.903 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 ttt -56.89 -30.2 63.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.646 HD21 HE22 ' A' ' 37' ' ' GLN . 2.4 m120 -72.03 -40.47 68.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.18 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.61 -45.68 48.38 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 t -77.03 -46.75 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.772 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -62.7 -21.41 65.74 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.153 0.501 . . . . 0.0 110.555 -179.698 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -63.92 -3.68 2.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.157 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 44' ' ' ARG . 7.0 pt-20 35.61 83.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.552 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.786 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -171.83 -139.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 0.0 110.842 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' C ' ' NZ ' ' A' ' 53' ' ' LYS . 5.6 p -64.19 -166.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.448 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 22' ' ' ILE . 56.4 t -66.7 -38.33 81.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.334 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.525 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.5 OUTLIER -53.86 -35.67 61.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.782 0.325 . . . . 0.0 111.332 -179.386 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.04 -38.46 14.38 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.826 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' NZ ' ' C ' ' A' ' 49' ' ' THR . 28.5 mtmm -70.43 -27.59 64.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.902 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.26 -49.75 10.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.465 HH12 ' CZ ' ' A' ' 10' ' ' ARG . 6.2 tpp180 -46.47 -43.82 17.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.889 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 57' ' ' LEU . 16.8 m -75.65 -50.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' N ' HG23 ' A' ' 56' ' ' VAL . 9.8 tp -47.65 -55.49 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.314 . . . . 0.0 111.198 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.25 -34.38 66.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.615 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.98 -50.55 65.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.122 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -51.53 -51.33 56.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.215 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CD2' ' A' ' 72' ' ' PHE . 64.2 t -47.04 -58.07 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.363 -179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 m -57.82 -12.79 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.318 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -68.56 -46.41 62.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.75 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 1.6 mppt? -77.12 29.43 0.14 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.878 0.371 . . . . 0.0 110.373 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 77.02 178.18 46.71 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.562 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 87.5 Cg_endo -74.55 -5.96 17.6 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.86 2.374 . . . . 0.0 112.009 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -62.78 -27.31 69.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.58 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t -80.64 -36.88 31.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.106 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 4.2 p -43.9 -36.01 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.0 m -57.38 -65.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -59.41 -30.74 68.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CD2' HG21 ' A' ' 61' ' ' VAL . 53.0 t80 -63.37 -60.47 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.982 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mt -55.21 -35.02 34.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.388 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -72.18 -48.0 46.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.274 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.584 ' CG ' ' SG ' ' A' ' 28' ' ' CYS . 15.7 m-70 -63.35 -43.04 98.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.081 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.0 tp -61.18 -34.36 74.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.44 -53.16 60.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.518 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -69.24 -19.29 63.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.578 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -89.73 -31.48 17.43 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.774 0.321 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -150.34 101.46 3.14 Favored Pre-proline 0 N--CA 1.471 0.603 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -82.48 -18.14 7.13 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.489 1.459 . . . . 0.0 112.054 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -70.64 -57.9 4.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.351 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.0 tp -67.41 -51.16 55.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -54.2 -13.27 0.8 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.842 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.26 -33.89 63.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.219 0.533 . . . . 0.0 109.802 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -83.21 -38.72 21.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.044 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.532 ' O ' HD22 ' A' ' 89' ' ' LEU . 14.4 mmm -92.16 16.12 12.08 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.493 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.15 36.36 3.7 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.312 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -35.18 -35.69 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.837 0.351 . . . . 0.0 111.627 -179.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.908 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.78 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 19.9 p-10 -161.84 80.14 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -146.67 49.15 1.15 Allowed 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.541 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.36 -52.11 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 6' ' ' LEU . 2.7 mm? -55.72 -59.53 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.215 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.538 ' NH1' HH22 ' A' ' 10' ' ' ARG . 40.3 ttm-85 -36.52 -59.06 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.985 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -70.08 -43.34 71.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.044 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HD2' HD12 ' A' ' 12' ' ' ILE . 31.2 mmtp -83.07 17.75 1.88 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.993 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.538 HH22 ' NH1' ' A' ' 7' ' ' ARG . 20.6 ttp180 -72.44 -34.5 67.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 32.8 ptt85 -76.96 -26.21 53.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.089 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' A' ' 9' ' ' LYS . 69.8 mt -76.61 -69.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -48.39 -48.78 36.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.711 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.554 HG23 ' N ' ' A' ' 15' ' ' HIS . 3.0 tt -59.15 -49.68 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.798 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.554 ' N ' HG23 ' A' ' 14' ' ' ILE . 35.1 m80 -88.13 53.82 2.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.286 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.8 m -172.5 -51.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 17' ' ' VAL . 11.0 p -41.43 130.33 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.576 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.6 156.6 29.22 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.2 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.82 -50.97 59.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.32 . . . . 0.0 111.189 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.95 -57.56 10.85 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 24' ' ' ALA . 40.8 m -42.68 -60.57 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 mm -35.64 -40.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.116 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -70.58 -41.02 72.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 21' ' ' THR . . . -76.26 -23.77 54.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.522 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.5 tm? -76.62 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.076 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.16 -30.46 66.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.22 -42.06 93.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 5.6 t -67.4 -34.64 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 mt -56.22 -51.77 66.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.655 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.1 mt -54.69 -42.86 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.254 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -47.0 -45.33 20.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.321 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.75 -17.83 55.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.573 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 65.28 32.87 9.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 p -76.18 -38.18 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.269 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -88.21 156.93 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ASP . 49.8 m -98.68 149.49 22.76 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.738 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.525 ' OE1' ' ND2' ' A' ' 41' ' ' ASN . 0.1 OUTLIER -42.73 -31.07 0.43 Allowed 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.843 179.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.03 -39.91 75.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.647 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 1.9 m-20 -72.41 -45.54 59.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.1 tpt -52.25 -31.26 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.114 0.483 . . . . 0.0 109.917 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.525 ' ND2' ' OE1' ' A' ' 37' ' ' GLN . 3.4 m120 -71.86 -38.47 70.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -52.91 -49.82 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.173 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.21 -37.74 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' A' ' 46' ' ' GLU . 22.9 tpt180 -63.45 -27.76 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.008 0.433 . . . . 0.0 110.929 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 46' ' ' GLU . 23.1 m-20 -61.67 -5.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ASP . 5.8 pt-20 35.86 98.09 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.829 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -70.42 -71.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 49' ' ' THR . 3.3 p30 -161.6 -141.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 11.3 p -44.41 167.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -55.93 -34.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.7 OUTLIER -49.24 -40.81 35.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -79.74 -49.83 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.221 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -54.32 -32.57 56.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.948 0.404 . . . . 0.0 110.78 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 58' ' ' ILE . . . -80.04 -42.12 24.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -56.51 -42.58 78.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 57' ' ' LEU . 28.5 m -77.01 -45.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.174 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 ' N ' HG23 ' A' ' 56' ' ' VAL . 12.3 tp -54.71 -51.08 66.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 54' ' ' ALA . 17.9 tt -68.05 -27.78 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.244 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -71.63 -46.68 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 37.9 mt -55.59 -50.27 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.685 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.6 t -48.61 -57.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -50.6 -42.32 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -53.27 -41.4 61.95 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.437 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 26.2 mmtm -75.32 27.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.621 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 76.08 166.9 22.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.491 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 97.9 Cg_endo -73.28 -14.52 25.53 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 111.698 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -59.66 -23.23 62.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.276 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.0 t -79.03 -33.9 44.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.827 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' A' ' 66' ' ' PRO . 8.7 p -43.11 -33.94 0.97 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.3 m -55.01 -58.98 5.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -63.9 -25.54 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -69.83 -58.93 3.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.41 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 50.4 mt -61.06 -46.54 96.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.281 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -59.91 -52.9 63.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.577 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 7.0 m-70 -60.75 -59.85 4.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.924 0.393 . . . . 0.0 110.988 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.8 tp -40.97 -31.01 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 73' ' ' ILE . 83.0 m -73.56 -38.3 65.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.452 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -11.12 60.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -115.05 -44.72 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 120.772 0.32 . . . . 0.0 111.087 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -116.73 92.57 38.48 Favored Pre-proline 0 N--CA 1.478 0.938 0 C-N-CA 123.278 0.631 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -83.86 -11.53 8.92 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.796 1.664 . . . . 0.0 112.227 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 -59.88 2.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.511 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.97 -41.02 83.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.435 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -61.54 -17.56 55.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 p -54.55 -30.92 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.244 0.545 . . . . 0.0 110.023 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -87.78 -38.44 15.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.7 mmm -92.71 13.4 20.25 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -97.89 40.52 2.48 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.209 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -31.75 -31.63 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 122.934 0.493 . . . . 0.0 111.927 -179.506 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.51 ' N ' ' O ' ' A' ' 88' ' ' GLY . 2.5 t-80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 3' ' ' ASP . 12.8 p-10 -162.49 92.03 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -153.96 60.66 0.72 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.491 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.42 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.626 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.3 mm? -46.22 -56.87 5.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.885 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.45 -59.82 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.521 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -64.94 -43.82 91.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.399 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.92 6.39 11.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' NH2' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -56.86 -38.7 73.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.917 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.77 -29.89 58.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.338 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -75.79 -68.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.692 0.282 . . . . 0.0 111.298 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -47.97 -53.29 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.393 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 15' ' ' HIS . 4.4 tt -51.52 -49.86 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.563 ' N ' HG23 ' A' ' 14' ' ' ILE . 41.6 m80 -91.83 57.7 3.25 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 122.493 0.317 . . . . 0.0 111.079 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -170.51 -57.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -40.54 131.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.713 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.05 154.31 26.39 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.171 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.27 -26.92 13.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 111.34 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.04 -61.18 2.91 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.602 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.0 m -42.46 -38.8 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.509 HD11 HG13 ' A' ' 50' ' ' VAL . 69.9 mt -51.9 -60.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.759 0.314 . . . . 0.0 110.949 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -51.31 -38.8 54.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.463 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.29 -27.72 53.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 111.375 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -73.94 -58.42 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.527 -179.25 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 27' ' ' ASP . 3.2 pp -57.8 -36.23 71.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.905 0.383 . . . . 0.0 110.663 -179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 t70 -57.07 -44.03 82.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.403 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.664 ' HG ' ' CG ' ' A' ' 75' ' ' HIS . 7.3 t -65.85 -33.98 77.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 mt -61.76 -34.99 76.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.79 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.0 mt -67.74 -40.06 84.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.939 0.4 . . . . 0.0 110.17 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -57.35 -37.71 73.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.68 -21.87 57.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.576 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 69.28 28.7 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 p -75.78 -40.64 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.756 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.8 pt -89.27 -168.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.308 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -146.66 161.92 39.55 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.882 0.372 . . . . 0.0 110.832 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 11.6 tp60 -45.61 -25.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.517 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -69.25 -58.56 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.601 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -65.88 -48.45 71.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.589 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.4 tpt -45.64 -35.65 4.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.033 0.444 . . . . 0.0 110.414 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.579 ' N ' HD22 ' A' ' 41' ' ' ASN . 1.4 m120 -72.12 -36.28 69.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.035 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' O ' ' OD1' ' A' ' 45' ' ' ASP . 2.2 tmtp? -53.01 -49.03 67.03 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 t -72.09 -38.49 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.0 tpt85 -62.45 -29.64 70.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.03 0.443 . . . . 0.0 110.813 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.0 p-10 -49.64 -26.45 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.614 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 29.4 mt-10 49.96 94.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -75.48 -63.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.991 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -159.66 -141.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.926 0.393 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -50.08 179.7 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.34 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.509 HG13 HD11 ' A' ' 22' ' ' ILE . 38.6 t -60.56 -44.21 96.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -41.79 -39.29 1.71 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.417 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -81.89 -48.91 10.94 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.261 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -54.26 -31.89 54.78 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.95 -50.51 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.686 ' HE ' ' NH2' ' A' ' 10' ' ' ARG . 39.6 tpt85 -42.46 -48.74 5.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG23 ' N ' ' A' ' 57' ' ' LEU . 13.2 m -74.46 -47.21 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.608 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.7 tp -49.28 -55.86 11.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 111.328 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.0 tt -62.87 -30.97 50.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.337 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -66.88 -46.04 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.534 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.49 -51.0 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.212 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.43 HG21 ' CD2' ' A' ' 72' ' ' PHE . 68.1 t -46.06 -55.65 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.055 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.6 p -57.94 -48.88 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.715 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.458 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -43.6 -44.29 6.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -77.2 30.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.018 0.437 . . . . 0.0 110.457 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 79.86 162.23 24.85 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.284 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 84.3 Cg_endo -74.98 -13.96 21.31 Favored 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.706 2.271 . . . . 0.0 111.773 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -57.03 -22.01 35.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.191 0.52 . . . . 0.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 t -78.04 -32.37 50.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 10.3 p -46.04 -51.73 13.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.572 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 86.2 m -46.42 -50.62 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.201 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 56.8 mttm -71.56 -23.39 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.43 ' CD2' HG21 ' A' ' 61' ' ' VAL . 52.5 t80 -73.55 -52.4 13.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.038 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -62.21 -29.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.375 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -75.95 -54.59 6.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.664 ' CG ' ' HG ' ' A' ' 28' ' ' CYS . 23.5 m-70 -57.17 -27.37 61.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.023 0.44 . . . . 0.0 110.516 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.16 -32.49 59.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 91.8 m -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.322 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -80.38 -28.0 38.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.928 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.09 -53.64 6.22 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.634 0.254 . . . . 0.0 111.586 -179.139 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -131.11 77.29 75.1 Favored Pre-proline 0 N--CA 1.479 0.99 0 C-N-CA 122.828 0.451 . . . . 0.0 111.255 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.94 -29.53 35.75 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.699 2.266 . . . . 0.0 112.064 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -70.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.668 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.0 tp -55.81 -29.29 59.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.305 0.574 . . . . 0.0 110.132 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -61.41 -10.99 8.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.102 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 p -69.04 -49.71 55.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.958 0.408 . . . . 0.0 110.309 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -80.35 11.39 3.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.15 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 18.1 mtp -145.95 13.87 1.32 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -116.23 51.19 0.74 Allowed Glycine 0 N--CA 1.471 1.024 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.649 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -33.28 -34.59 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 122.892 0.477 . . . . 0.0 111.707 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' GLY . 16.7 t-80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.827 0.346 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -162.05 91.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -155.36 42.38 0.44 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 89' ' ' LEU . 9.4 tt -59.78 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 6' ' ' LEU . 3.2 mm? -44.48 -52.74 7.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.02 -61.02 0.69 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -69.91 -40.33 75.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -83.51 22.66 1.03 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' ILE . 41.4 ttp180 -75.55 -45.5 37.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -68.54 -27.44 66.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.169 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -74.28 -68.12 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.447 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -49.93 -56.85 8.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 0.0 111.277 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 15' ' ' HIS . 5.2 tt -46.98 -50.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.455 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 14' ' ' ILE . 32.5 m170 -91.86 55.17 2.6 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.436 0.295 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 m -168.19 -58.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 111.335 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.9 p -39.57 124.53 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.821 -179.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.71 23.98 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -42.66 -28.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.433 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.28 -63.22 2.42 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.73 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 m -42.58 -35.39 1.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.662 0.268 . . . . 0.0 111.335 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 50' ' ' VAL . 93.4 mt -53.3 -60.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.813 0.34 . . . . 0.0 111.713 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -53.72 -37.97 63.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.403 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.93 -27.3 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 111.428 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.495 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.8 tm? -75.09 -58.88 3.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.98 -27.62 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -62.91 -46.95 85.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.331 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 75' ' ' HIS . 7.9 t -63.12 -41.97 99.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.641 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.9 mt -51.88 -45.32 64.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.563 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.0 -41.83 79.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.046 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -50.3 -40.87 49.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.56 -16.6 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.766 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 66.68 32.85 6.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 p -77.15 -45.75 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.219 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.1 pt -88.99 155.69 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 CA-C-O 120.956 0.407 . . . . 0.0 110.42 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 p -101.1 159.36 15.29 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.234 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.715 HE22 HD21 ' A' ' 41' ' ' ASN . 0.6 OUTLIER -47.9 -27.23 2.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 179.217 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.45 -51.27 37.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.503 ' OD2' ' NZ ' ' A' ' 64' ' ' LYS . 44.8 m-20 -65.9 -38.25 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 110.137 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.4 ttt -56.56 -29.48 62.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.676 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.715 HD21 HE22 ' A' ' 37' ' ' GLN . 8.9 m120 -72.46 -42.08 65.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.04 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -49.45 33.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.791 0.329 . . . . 0.0 110.429 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.3 t -73.66 -52.77 19.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.339 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -56.35 -12.65 1.74 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.204 0.526 . . . . 0.0 110.934 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -13.91 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 44.56 64.11 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -50.62 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.509 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 3.8 m-20 -159.55 -141.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.7 p -55.93 163.64 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG13 HD11 ' A' ' 22' ' ' ILE . 54.6 t -45.28 -32.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -53.54 -40.02 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.916 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.34 -42.91 16.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' NZ ' ' O ' ' A' ' 48' ' ' ASP . 39.0 mttp -59.32 -37.3 77.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.16 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.43 -37.97 50.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.542 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -53.4 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.407 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.43 -39.22 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.871 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.4 tp -53.89 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.701 0.286 . . . . 0.0 111.513 -179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 59' ' ' ASP . 17.6 tt -56.84 -41.95 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.718 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 58' ' ' ILE . 8.8 t70 -61.87 -60.24 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.6 mt -40.96 -46.42 2.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.4 -65.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.066 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.2 m -44.61 -49.97 9.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.238 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' GLY . . . -42.99 -41.22 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.662 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 42.7 mmtm -77.29 28.44 0.15 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.799 0.333 . . . . 0.0 111.025 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' GLY . . . 78.6 172.2 40.65 Favored Glycine 0 C--N 1.329 0.158 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.664 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 95.1 Cg_endo -77.18 -13.99 16.84 Favored 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 122.888 2.392 . . . . 0.0 112.214 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -59.08 -25.76 64.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.976 0.417 . . . . 0.0 110.519 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.9 t -81.21 -30.19 34.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 70' ' ' CYS . 2.8 p -53.29 -49.68 66.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.201 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 15.5 t -41.99 -45.96 3.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.405 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -76.41 -27.32 56.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.194 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -69.65 -53.37 19.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.355 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.8 mt -63.41 -35.48 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.659 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -73.66 -66.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.999 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' CD2' ' SG ' ' A' ' 28' ' ' CYS . 12.0 m-70 -43.62 -27.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.077 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.2 tp -76.18 -55.71 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 94.6 m -41.86 -32.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.523 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.11 -45.76 19.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.62 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -71.14 -53.85 13.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.642 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.41 97.19 48.98 Favored Pre-proline 0 N--CA 1.477 0.907 0 C-N-CA 123.265 0.626 . . . . 0.0 111.0 -179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -83.18 -13.05 9.11 Favored 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 121.691 1.594 . . . . 0.0 111.928 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -58.59 3.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.308 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 85' ' ' SER . 2.9 tp -64.85 -47.67 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.627 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 88' ' ' GLY . . . -50.52 -11.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.722 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 83' ' ' LEU . 47.3 t -57.28 -39.4 75.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.018 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -80.13 -33.61 38.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.974 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.605 ' O ' HD22 ' A' ' 89' ' ' LEU . 19.1 mtp -90.36 7.74 37.04 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 84' ' ' ALA . . . -92.17 39.76 2.98 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.733 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.672 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -35.52 -46.24 0.39 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.098 0.475 . . . . 0.0 111.443 -179.438 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.536 179.63 . . . . . . . . 1 1 . 1 stop_ save_